2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C18H22N6O — CID 50963811

IUPAC2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(N(C)Cc2cc(-c3ccncc3)no2)c1C
InChIInChI=1S/C18H22N6O/c1-12-13(2)20-18(23(3)4)21-17(12)24(5)11-15-10-16(22-25-15)14-6-8-19-9-7-14/h6-10H,11H2,1-5H3
InChIKeyFWFIVJUBMKRLPX-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.85
Rot. Bonds5

About 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50963811) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50963811
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(N(C)Cc2cc(-c3ccncc3)no2)c1C
InChIInChI=1S/C18H22N6O/c1-12-13(2)20-18(23(3)4)21-17(12)24(5)11-15-10-16(22-25-15)14-6-8-19-9-7-14/h6-10H,11H2,1-5H3
InChIKeyFWFIVJUBMKRLPX-UHFFFAOYSA-N
XLogP2.85
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]pyrazine-2-carbonitrile
CID 134710205
N,1,3-trimethyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72888811
2-N,2-N,4-N,5,6-pentamethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 50951636
N-methyl-1-(4-methylsulfonylphenyl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]methanamine
CID 134712685
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 126431503
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566
2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 72888940
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
CID 91841578
methyl 4-[[methyl-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoate
CID 56915722

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 50963811) is 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(N(C)Cc2cc(-c3ccncc3)no2)c1C.
What is the InChIKey of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is FWFIVJUBMKRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-13(2)20-18(23(3)4)21-17(12)24(5)11-15-10-16(22-25-15)14-6-8-19-9-7-14/h6-10H,11H2,1-5H3.
What are the key properties of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 338.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,5,6-pentamethyl-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50963811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).