5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one

C12H17N5O2 — CID 136975236

IUPAC5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCCCc2cn[nH]c2C)nc[nH]c1=O
InChIInChI=1S/C12H17N5O2/c1-8-9(6-16-17-8)4-3-5-13-11-10(19-2)12(18)15-7-14-11/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyKKMDLVYTPQJCOM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.85
Rot. Bonds6

About 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one

5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one (PubChem CID 136975236) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
PubChem CID136975236
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCCCc2cn[nH]c2C)nc[nH]c1=O
InChIInChI=1S/C12H17N5O2/c1-8-9(6-16-17-8)4-3-5-13-11-10(19-2)12(18)15-7-14-11/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15,18)
InChIKeyKKMDLVYTPQJCOM-UHFFFAOYSA-N
XLogP0.85
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one (CID 136975236) is 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one is COc1c(NCCCc2cn[nH]c2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one?
The InChIKey is KKMDLVYTPQJCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-9(6-16-17-8)4-3-5-13-11-10(19-2)12(18)15-7-14-11/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one has a molecular weight of 263.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).