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

C17H25N7 — CID 46995038

IUPAC6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)ncn1
InChIInChI=1S/C17H25N7/c1-12(2)20-16-9-17(19-11-18-16)23-7-5-14(6-8-23)24-10-15(21-22-24)13-3-4-13/h9-14H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyAKDIHWLKGFNKDF-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.61
Rot. Bonds5

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

6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine (PubChem CID 46995038) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
PubChem CID46995038
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
SMILESCC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)ncn1
InChIInChI=1S/C17H25N7/c1-12(2)20-16-9-17(19-11-18-16)23-7-5-14(6-8-23)24-10-15(21-22-24)13-3-4-13/h9-14H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyAKDIHWLKGFNKDF-UHFFFAOYSA-N
XLogP2.61
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine (CID 46995038) is 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine is CC(C)Nc1cc(N2CCC(n3cc(C4CC4)nn3)CC2)ncn1.
What is the InChIKey of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is AKDIHWLKGFNKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-12(2)20-16-9-17(19-11-18-16)23-7-5-14(6-8-23)24-10-15(21-22-24)13-3-4-13/h9-14H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine?
6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 46995038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).