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

C14H21N7 — CID 126887741

IUPAC6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cnnn3C)CC2)ncn1
InChIInChI=1S/C14H21N7/c1-11-7-14(16-10-15-11)18-12-3-5-21(6-4-12)9-13-8-17-19-20(13)2/h7-8,10,12H,3-6,9H2,1-2H3,(H,15,16,18)
InChIKeyIMNFPMFGYQMEDQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.99
Rot. Bonds4

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

6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887741) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887741
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3cnnn3C)CC2)ncn1
InChIInChI=1S/C14H21N7/c1-11-7-14(16-10-15-11)18-12-3-5-21(6-4-12)9-13-8-17-19-20(13)2/h7-8,10,12H,3-6,9H2,1-2H3,(H,15,16,18)
InChIKeyIMNFPMFGYQMEDQ-UHFFFAOYSA-N
XLogP0.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887741) is 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3cnnn3C)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is IMNFPMFGYQMEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-11-7-14(16-10-15-11)18-12-3-5-21(6-4-12)9-13-8-17-19-20(13)2/h7-8,10,12H,3-6,9H2,1-2H3,(H,15,16,18).
What are the key properties of 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).