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

C17H26N6O — CID 129333496

IUPAC2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(NCCn2ccnc2)n1
InChIInChI=1S/C17H26N6O/c1-13(2)16-14(4-3-11-24-16)21-15-5-6-19-17(22-15)20-8-10-23-9-7-18-12-23/h5-7,9,12-14,16H,3-4,8,10-11H2,1-2H3,(H2,19,20,21,22)/t14-,16+/m0/s1
InChIKeyFUDJBOQYKOJYKO-GOEBONIOSA-N
MW330.44 g/mol
LogP2.40
Rot. Bonds7

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

2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine (PubChem CID 129333496) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
PubChem CID129333496
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(NCCn2ccnc2)n1
InChIInChI=1S/C17H26N6O/c1-13(2)16-14(4-3-11-24-16)21-15-5-6-19-17(22-15)20-8-10-23-9-7-18-12-23/h5-7,9,12-14,16H,3-4,8,10-11H2,1-2H3,(H2,19,20,21,22)/t14-,16+/m0/s1
InChIKeyFUDJBOQYKOJYKO-GOEBONIOSA-N
XLogP2.40
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-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

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine (CID 129333496) is 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine is CC(C)[C@H]1OCCC[C@@H]1Nc1ccnc(NCCn2ccnc2)n1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is FUDJBOQYKOJYKO-GOEBONIOSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13(2)16-14(4-3-11-24-16)21-15-5-6-19-17(22-15)20-8-10-23-9-7-18-12-23/h5-7,9,12-14,16H,3-4,8,10-11H2,1-2H3,(H2,19,20,21,22)/t14-,16+/m0/s1.
What are the key properties of 2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine?
2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 2.40, 7 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-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 129333496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).