2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

C14H24N4O — CID 136977973

IUPAC2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(CNC(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)15-8-12-5-4-6-18(9-12)13-7-14(19)17-11(3)16-13/h7,10,12,15H,4-6,8-9H2,1-3H3,(H,16,17,19)
InChIKeyJQUYYHYCTHDPMK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.29
Rot. Bonds4

About 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one

2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136977973) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136977973
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC(CNC(C)C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H24N4O/c1-10(2)15-8-12-5-4-6-18(9-12)13-7-14(19)17-11(3)16-13/h7,10,12,15H,4-6,8-9H2,1-3H3,(H,16,17,19)
InChIKeyJQUYYHYCTHDPMK-UHFFFAOYSA-N
XLogP1.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136977973) is 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is Cc1nc(N2CCCC(CNC(C)C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JQUYYHYCTHDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)15-8-12-5-4-6-18(9-12)13-7-14(19)17-11(3)16-13/h7,10,12,15H,4-6,8-9H2,1-3H3,(H,16,17,19).
What are the key properties of 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one?
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).