N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

C15H22N6O — CID 126433348

IUPACN-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)n1cnnc1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C15H22N6O/c1-11(2)21-10-18-19-15(21)7-20(3)14-6-13(16-9-17-14)12-4-5-22-8-12/h6,9-12H,4-5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyMFDCFSLMJGPZES-LBPRGKRZSA-N
MW302.38 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 126433348) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID126433348
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)n1cnnc1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C15H22N6O/c1-11(2)21-10-18-19-15(21)7-20(3)14-6-13(16-9-17-14)12-4-5-22-8-12/h6,9-12H,4-5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyMFDCFSLMJGPZES-LBPRGKRZSA-N
XLogP1.79
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 126433348) is N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is CC(C)n1cnnc1CN(C)c1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is MFDCFSLMJGPZES-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(2)21-10-18-19-15(21)7-20(3)14-6-13(16-9-17-14)12-4-5-22-8-12/h6,9-12H,4-5,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3R)-oxolan-3-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 126433348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).