6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one

C11H19N3O — CID 61387802

IUPAC6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCCNC(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)12-5-4-6-14-8-13-10(3)7-11(14)15/h7-9,12H,4-6H2,1-3H3
InChIKeyOCONQRVHCCZOTN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds5

About 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one

6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one (PubChem CID 61387802) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one
PubChem CID61387802
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCCNC(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-9(2)12-5-4-6-14-8-13-10(3)7-11(14)15/h7-9,12H,4-6H2,1-3H3
InChIKeyOCONQRVHCCZOTN-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one (CID 61387802) is 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one is Cc1cc(=O)n(CCCNC(C)C)cn1.
What is the InChIKey of 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one?
The InChIKey is OCONQRVHCCZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)12-5-4-6-14-8-13-10(3)7-11(14)15/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one?
6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(propan-2-ylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 61387802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).