6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane

C25H45N9O — CID 145495824

IUPAC6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane
SMILESCC.CCN(CC)CCNc1cc(NC2C=C(C(C)C)NN2)nc(NCc2cc(C(C)C)no2)n1
InChIInChI=1S/C23H39N9O.C2H6/c1-7-32(8-2)10-9-24-20-13-21(26-22-12-18(15(3)4)29-30-22)28-23(27-20)25-14-17-11-19(16(5)6)31-33-17;1-2/h11-13,15-16,22,29-30H,7-10,14H2,1-6H3,(H3,24,25,26,27,28);1-2H3
InChIKeyMFYONZDVQUGHQM-UHFFFAOYSA-N
MW487.70 g/mol
LogP4.37
Rot. Bonds13

About 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane

6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane (PubChem CID 145495824) has the molecular formula C25H45N9O and a molecular weight of 487.70 g/mol. Its IUPAC name is 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane.

Molecular Properties

Compound Name6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane
PubChem CID145495824
Molecular FormulaC25H45N9O
Molecular Weight487.70 g/mol
Exact Mass487.37
IUPAC Name6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane
SMILESCC.CCN(CC)CCNc1cc(NC2C=C(C(C)C)NN2)nc(NCc2cc(C(C)C)no2)n1
InChIInChI=1S/C23H39N9O.C2H6/c1-7-32(8-2)10-9-24-20-13-21(26-22-12-18(15(3)4)29-30-22)28-23(27-20)25-14-17-11-19(16(5)6)31-33-17;1-2/h11-13,15-16,22,29-30H,7-10,14H2,1-6H3,(H3,24,25,26,27,28);1-2H3
InChIKeyMFYONZDVQUGHQM-UHFFFAOYSA-N
XLogP4.37
TPSA115.20 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.70
LogP ≤ 54.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane with MolForge

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Launch Full Analysis

Related Compounds

6-N-[3-(diethylamino)propyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
CID 59757877
6-N-[3-(diethylamino)propyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(3-propan-2-yl-2H-pyrrol-5-yl)pyrimidine-2,4,6-triamine
CID 58274283
4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 88914541
1-[3-(diethylamino)propyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584028
N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
CID 25220772
N-ethyl-N-methyl-5-[[(3-propan-2-yl-1,2-oxazol-5-yl)methylamino]methyl]pyridin-2-amine
CID 119047929
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
4-N-[2-(diethylamino)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80940577
6-N-[2-(diethylamino)ethyl]pyridine-2,3,6-triamine
CID 79822537
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane?
The IUPAC name of 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane (CID 145495824) is 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane.
What is the SMILES notation for 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane?
The canonical SMILES for 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane is CC.CCN(CC)CCNc1cc(NC2C=C(C(C)C)NN2)nc(NCc2cc(C(C)C)no2)n1.
What is the InChIKey of 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane?
The InChIKey is MFYONZDVQUGHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N9O.C2H6/c1-7-32(8-2)10-9-24-20-13-21(26-22-12-18(15(3)4)29-30-22)28-23(27-20)25-14-17-11-19(16(5)6)31-33-17;1-2/h11-13,15-16,22,29-30H,7-10,14H2,1-6H3,(H3,24,25,26,27,28);1-2H3.
What are the key properties of 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane?
6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane has a molecular weight of 487.70 g/mol, XLogP of 4.37, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(diethylamino)ethyl]-4-N-(5-propan-2-yl-2,3-dihydro-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine;ethane is sourced from PubChem (CID 145495824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).