6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C14H21N7O — CID 126888169

IUPAC6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3cnnn3C)CC2)ncn1
InChIInChI=1S/C14H21N7O/c1-20-12(8-17-19-20)9-21-5-3-11(4-6-21)18-13-7-14(22-2)16-10-15-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,18)
InChIKeyRVGPZPSIAMUQPM-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.69
Rot. Bonds5

About 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888169) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888169
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3cnnn3C)CC2)ncn1
InChIInChI=1S/C14H21N7O/c1-20-12(8-17-19-20)9-21-5-3-11(4-6-21)18-13-7-14(22-2)16-10-15-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,18)
InChIKeyRVGPZPSIAMUQPM-UHFFFAOYSA-N
XLogP0.69
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126888169) is 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(NC2CCN(Cc3cnnn3C)CC2)ncn1.
What is the InChIKey of 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is RVGPZPSIAMUQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-20-12(8-17-19-20)9-21-5-3-11(4-6-21)18-13-7-14(22-2)16-10-15-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,18).
What are the key properties of 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).