2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine

C13H19N7O — CID 126426383

IUPAC2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(NCCCc2nn[nH]n2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C13H19N7O/c1-9-15-11(10-4-6-21-8-10)7-13(16-9)14-5-2-3-12-17-19-20-18-12/h7,10H,2-6,8H2,1H3,(H,14,15,16)(H,17,18,19,20)/t10-/m0/s1
InChIKeySYGYEIYQNWEWAQ-JTQLQIEISA-N
MW289.34 g/mol
LogP0.85
Rot. Bonds6

About 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine

2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 126426383) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID126426383
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine
SMILESCc1nc(NCCCc2nn[nH]n2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C13H19N7O/c1-9-15-11(10-4-6-21-8-10)7-13(16-9)14-5-2-3-12-17-19-20-18-12/h7,10H,2-6,8H2,1H3,(H,14,15,16)(H,17,18,19,20)/t10-/m0/s1
InChIKeySYGYEIYQNWEWAQ-JTQLQIEISA-N
XLogP0.85
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine 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-methyl-6-(oxolan-3-yl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 119070768
N-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 126452994
N-(2-benzylsulfanylethyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126430241
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126446462
2-methyl-6-[(3R)-oxolan-3-yl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrimidin-4-amine
CID 126450304
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118782464
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530
6-methyl-1-[3-[[2-(methylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]amino]propyl]pyridin-2-one
CID 118772017
4-N-(3-morpholin-4-ylpropyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423060
2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 50962885
1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 118760891
7-fluoro-3-[[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 119067930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine (CID 126426383) is 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine is Cc1nc(NCCCc2nn[nH]n2)cc([C@H]2CCOC2)n1.
What is the InChIKey of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is SYGYEIYQNWEWAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N7O/c1-9-15-11(10-4-6-21-8-10)7-13(16-9)14-5-2-3-12-17-19-20-18-12/h7,10H,2-6,8H2,1H3,(H,14,15,16)(H,17,18,19,20)/t10-/m0/s1.
What are the key properties of 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine?
2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-oxolan-3-yl]-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 126426383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).