6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

C11H14N6O — CID 125175212

IUPAC6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESc1nc(NCc2ncn[nH]2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C11H14N6O/c1-2-18-5-8(1)9-3-10(14-6-13-9)12-4-11-15-7-16-17-11/h3,6-8H,1-2,4-5H2,(H,12,13,14)(H,15,16,17)/t8-/m0/s1
InChIKeyHMDFHJTUMTZDDH-QMMMGPOBSA-N
MW246.27 g/mol
LogP0.71
Rot. Bonds4

About 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 125175212) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID125175212
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESc1nc(NCc2ncn[nH]2)cc([C@H]2CCOC2)n1
InChIInChI=1S/C11H14N6O/c1-2-18-5-8(1)9-3-10(14-6-13-9)12-4-11-15-7-16-17-11/h3,6-8H,1-2,4-5H2,(H,12,13,14)(H,15,16,17)/t8-/m0/s1
InChIKeyHMDFHJTUMTZDDH-QMMMGPOBSA-N
XLogP0.71
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125170815
2-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 126848755
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125164969
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125164970
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
N-[(4-methylsulfanylphenyl)methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119062722
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119068755
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126442663
N'-[6-(oxolan-3-yl)pyrimidin-4-yl]propane-1,3-diamine
CID 126848768
4-[[6-(oxolan-3-yl)pyrimidin-4-yl]amino]butanoic acid
CID 118770776
N-(2,2-diethoxyethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 126848753
N-[2-(4-fluorophenoxy)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119067292

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (CID 125175212) is 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is c1nc(NCc2ncn[nH]2)cc([C@H]2CCOC2)n1.
What is the InChIKey of 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is HMDFHJTUMTZDDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-18-5-8(1)9-3-10(14-6-13-9)12-4-11-15-7-16-17-11/h3,6-8H,1-2,4-5H2,(H,12,13,14)(H,15,16,17)/t8-/m0/s1.
What are the key properties of 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 246.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-oxolan-3-yl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 125175212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).