4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C21H30N8O2 — CID 59648391

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C)no2)n1
InChIInChI=1S/C21H30N8O2/c1-4-29(5-2)8-9-30-20-12-18(23-19-11-17(26-27-19)15-6-7-15)24-21(25-20)22-13-16-10-14(3)28-31-16/h10-12,15H,4-9,13H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyQTLPNADBBUACHT-UHFFFAOYSA-N
MW426.53 g/mol
LogP3.45
Rot. Bonds12

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59648391) has the molecular formula C21H30N8O2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59648391
Molecular FormulaC21H30N8O2
Molecular Weight426.53 g/mol
Exact Mass426.25
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C)no2)n1
InChIInChI=1S/C21H30N8O2/c1-4-29(5-2)8-9-30-20-12-18(23-19-11-17(26-27-19)15-6-7-15)24-21(25-20)22-13-16-10-14(3)28-31-16/h10-12,15H,4-9,13H2,1-3H3,(H3,22,23,24,25,26,27)
InChIKeyQTLPNADBBUACHT-UHFFFAOYSA-N
XLogP3.45
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

Xl-228
CID 59757974
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 60154344
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine
CID 11539260
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11567592
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
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11590715
2-N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 11625350
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11631463
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[3-(diethylamino)propyl]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 11641301
6-[2-(dimethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59648382
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59648385
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59648395

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59648391) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is CCN(CC)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QTLPNADBBUACHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O2/c1-4-29(5-2)8-9-30-20-12-18(23-19-11-17(26-27-19)15-6-7-15)24-21(25-20)22-13-16-10-14(3)28-31-16/h10-12,15H,4-9,13H2,1-3H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 426.53 g/mol, XLogP of 3.45, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(diethylamino)ethoxy]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59648391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).