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'}

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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).