4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one

C18H24N6O2 — CID 136662240

IUPAC4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC(Nc3nccc(N4CCC(O)CC4)n3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H24N6O2/c1-11-20-15(10-17(26)21-11)12-8-13(9-12)22-18-19-5-2-16(23-18)24-6-3-14(25)4-7-24/h2,5,10,12-14,25H,3-4,6-9H2,1H3,(H,19,22,23)(H,20,21,26)
InChIKeyVWDSTKLBGMGZBE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.19
Rot. Bonds4

About 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one

4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136662240) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136662240
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CC(Nc3nccc(N4CCC(O)CC4)n3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H24N6O2/c1-11-20-15(10-17(26)21-11)12-8-13(9-12)22-18-19-5-2-16(23-18)24-6-3-14(25)4-7-24/h2,5,10,12-14,25H,3-4,6-9H2,1H3,(H,19,22,23)(H,20,21,26)
InChIKeyVWDSTKLBGMGZBE-UHFFFAOYSA-N
XLogP1.19
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one (CID 136662240) is 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CC(Nc3nccc(N4CCC(O)CC4)n3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VWDSTKLBGMGZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-11-20-15(10-17(26)21-11)12-8-13(9-12)22-18-19-5-2-16(23-18)24-6-3-14(25)4-7-24/h2,5,10,12-14,25H,3-4,6-9H2,1H3,(H,19,22,23)(H,20,21,26).
What are the key properties of 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one?
4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 356.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]cyclobutyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136662240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).