1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one

C17H24N6O — CID 86285634

IUPAC1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(C)C(=O)N2CCC(c3ccnc(N)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-11-10-12(2)23(21-11)13(3)16(24)22-8-5-14(6-9-22)15-4-7-19-17(18)20-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyIIMPFAGUMJKBBA-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds3

About 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one

1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 86285634) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID86285634
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(C)C(=O)N2CCC(c3ccnc(N)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-11-10-12(2)23(21-11)13(3)16(24)22-8-5-14(6-9-22)15-4-7-19-17(18)20-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyIIMPFAGUMJKBBA-UHFFFAOYSA-N
XLogP1.84
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 86285634) is 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(C(C)C(=O)N2CCC(c3ccnc(N)n3)CC2)n1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is IIMPFAGUMJKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-10-12(2)23(21-11)13(3)16(24)22-8-5-14(6-9-22)15-4-7-19-17(18)20-15/h4,7,10,13-14H,5-6,8-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 86285634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).