4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine

C15H22N6O — CID 128996036

IUPAC4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1Nc1nccc(NC2CCCOC2)n1
InChIInChI=1S/C15H22N6O/c1-10-14(11(2)21(3)20-10)19-15-16-7-6-13(18-15)17-12-5-4-8-22-9-12/h6-7,12H,4-5,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyWKIOFOCTJCVJBK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.16
Rot. Bonds4

About 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine

4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 128996036) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID128996036
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1Nc1nccc(NC2CCCOC2)n1
InChIInChI=1S/C15H22N6O/c1-10-14(11(2)21(3)20-10)19-15-16-7-6-13(18-15)17-12-5-4-8-22-9-12/h6-7,12H,4-5,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyWKIOFOCTJCVJBK-UHFFFAOYSA-N
XLogP2.16
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341639
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
2-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333489
2-N-[(3S)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333491
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112884209
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
4-methyl-2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]pentanoic acid
CID 122062510
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
2-N-[(2-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 128996036) is 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine is Cc1nn(C)c(C)c1Nc1nccc(NC2CCCOC2)n1.
What is the InChIKey of 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is WKIOFOCTJCVJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-14(11(2)21(3)20-10)19-15-16-7-6-13(18-15)17-12-5-4-8-22-9-12/h6-7,12H,4-5,8-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 128996036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).