1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol

C15H24N4O — CID 114683985

IUPAC1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCNc1nc(C2CC2)nc(N2CCC(O)C(C)C2)c1C
InChIInChI=1S/C15H24N4O/c1-9-8-19(7-6-12(9)20)15-10(2)13(16-3)17-14(18-15)11-4-5-11/h9,11-12,20H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyKFKWCQLXZGRDDL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.91
Rot. Bonds3

About 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol

1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol (PubChem CID 114683985) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
PubChem CID114683985
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
SMILESCNc1nc(C2CC2)nc(N2CCC(O)C(C)C2)c1C
InChIInChI=1S/C15H24N4O/c1-9-8-19(7-6-12(9)20)15-10(2)13(16-3)17-14(18-15)11-4-5-11/h9,11-12,20H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyKFKWCQLXZGRDDL-UHFFFAOYSA-N
XLogP1.91
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol (CID 114683985) is 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol is CNc1nc(C2CC2)nc(N2CCC(O)C(C)C2)c1C.
What is the InChIKey of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
The InChIKey is KFKWCQLXZGRDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-9-8-19(7-6-12(9)20)15-10(2)13(16-3)17-14(18-15)11-4-5-11/h9,11-12,20H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol?
1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol has a molecular weight of 276.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114683985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).