2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C14H20N6O — CID 125174079

IUPAC2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cn(CCNc2cc([C@H]3CCOC3)nc(C)n2)nn1
InChIInChI=1S/C14H20N6O/c1-10-8-20(19-18-10)5-4-15-14-7-13(16-11(2)17-14)12-3-6-21-9-12/h7-8,12H,3-6,9H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyGXWQGUYHIDQKJI-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.30
Rot. Bonds5

About 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125174079) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125174079
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1cn(CCNc2cc([C@H]3CCOC3)nc(C)n2)nn1
InChIInChI=1S/C14H20N6O/c1-10-8-20(19-18-10)5-4-15-14-7-13(16-11(2)17-14)12-3-6-21-9-12/h7-8,12H,3-6,9H2,1-2H3,(H,15,16,17)/t12-/m0/s1
InChIKeyGXWQGUYHIDQKJI-LBPRGKRZSA-N
XLogP1.30
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 125174079) is 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1cn(CCNc2cc([C@H]3CCOC3)nc(C)n2)nn1.
What is the InChIKey of 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is GXWQGUYHIDQKJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-8-20(19-18-10)5-4-15-14-7-13(16-11(2)17-14)12-3-6-21-9-12/h7-8,12H,3-6,9H2,1-2H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyltriazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125174079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).