6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine

C19H29N7 — CID 46998993

IUPAC6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(N2CCC(n3cc(C4CCCC4)nn3)CC2)ncn1
InChIInChI=1S/C19H29N7/c1-14(2)22-18-11-19(21-13-20-18)25-9-7-16(8-10-25)26-12-17(23-24-26)15-5-3-4-6-15/h11-16H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyDIYXDHRXWZNMIF-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.39
Rot. Bonds5

About 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine

6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine (PubChem CID 46998993) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
PubChem CID46998993
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(N2CCC(n3cc(C4CCCC4)nn3)CC2)ncn1
InChIInChI=1S/C19H29N7/c1-14(2)22-18-11-19(21-13-20-18)25-9-7-16(8-10-25)26-12-17(23-24-26)15-5-3-4-6-15/h11-16H,3-10H2,1-2H3,(H,20,21,22)
InChIKeyDIYXDHRXWZNMIF-UHFFFAOYSA-N
XLogP3.39
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine (CID 46998993) is 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(N2CCC(n3cc(C4CCCC4)nn3)CC2)ncn1.
What is the InChIKey of 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is DIYXDHRXWZNMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-14(2)22-18-11-19(21-13-20-18)25-9-7-16(8-10-25)26-12-17(23-24-26)15-5-3-4-6-15/h11-16H,3-10H2,1-2H3,(H,20,21,22).
What are the key properties of 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 46998993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).