4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one

C15H16ClN3O2 — CID 136782373

IUPAC4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCOc1cccc(Cl)c1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H16ClN3O2/c1-21-12-4-2-3-11(16)10(12)8-17-13-7-14(20)19-15(18-13)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H2,17,18,19,20)
InChIKeyWAUCTKQOVPLCKX-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.92
Rot. Bonds5

About 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136782373) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136782373
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCOc1cccc(Cl)c1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C15H16ClN3O2/c1-21-12-4-2-3-11(16)10(12)8-17-13-7-14(20)19-15(18-13)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H2,17,18,19,20)
InChIKeyWAUCTKQOVPLCKX-UHFFFAOYSA-N
XLogP2.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136782373) is 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is COc1cccc(Cl)c1CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is WAUCTKQOVPLCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-12-4-2-3-11(16)10(12)8-17-13-7-14(20)19-15(18-13)9-5-6-9/h2-4,7,9H,5-6,8H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 305.76 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136782373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).