2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine

C14H20N6O — CID 129341030

IUPAC2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESc1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1
InChIInChI=1S/C14H20N6O/c1-2-12(10-21-9-1)18-13-3-4-16-14(19-13)17-6-8-20-7-5-15-11-20/h3-5,7,11-12H,1-2,6,8-10H2,(H2,16,17,18,19)/t12-/m1/s1
InChIKeyQXMFEEGZJTWMGV-GFCCVEGCSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds6

About 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine

2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129341030) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129341030
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
SMILESc1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1
InChIInChI=1S/C14H20N6O/c1-2-12(10-21-9-1)18-13-3-4-16-14(19-13)17-6-8-20-7-5-15-11-20/h3-5,7,11-12H,1-2,6,8-10H2,(H2,16,17,18,19)/t12-/m1/s1
InChIKeyQXMFEEGZJTWMGV-GFCCVEGCSA-N
XLogP1.38
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-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-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129333496
2-N-(furan-3-ylmethyl)-4-N-(oxan-3-yl)pyrimidine-2,4-diamine
CID 128993039
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
2-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-N-[(3S)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129343882
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
[2-[[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 128996848
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
4-N-(oxan-3-yl)-2-N-(1,3,5-trimethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 128996036
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-methoxy-4-pyridinyl)methyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129333487
(2R)-2-(furan-2-yl)-1-[[4-[[(3S)-oxan-3-yl]amino]pyrimidin-2-yl]amino]propan-2-ol
CID 129332796

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine (CID 129341030) is 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is c1cn(CCNc2nccc(N[C@@H]3CCCOC3)n2)cn1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is QXMFEEGZJTWMGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-12(10-21-9-1)18-13-3-4-16-14(19-13)17-6-8-20-7-5-15-11-20/h3-5,7,11-12H,1-2,6,8-10H2,(H2,16,17,18,19)/t12-/m1/s1.
What are the key properties of 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine?
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129341030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).