6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one

C7H10ClN3O — CID 83851964

IUPAC6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one
SMILESCCn1c(CN)cc(Cl)nc1=O
InChIInChI=1S/C7H10ClN3O/c1-2-11-5(4-9)3-6(8)10-7(11)12/h3H,2,4,9H2,1H3
InChIKeyHXWTVJWIBOHYOP-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.38
Rot. Bonds2

About 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one

6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one (PubChem CID 83851964) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one
PubChem CID83851964
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one
SMILESCCn1c(CN)cc(Cl)nc1=O
InChIInChI=1S/C7H10ClN3O/c1-2-11-5(4-9)3-6(8)10-7(11)12/h3H,2,4,9H2,1H3
InChIKeyHXWTVJWIBOHYOP-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one?
The IUPAC name of 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one (CID 83851964) is 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one.
What is the SMILES notation for 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one?
The canonical SMILES for 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one is CCn1c(CN)cc(Cl)nc1=O.
What is the InChIKey of 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one?
The InChIKey is HXWTVJWIBOHYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-11-5(4-9)3-6(8)10-7(11)12/h3H,2,4,9H2,1H3.
What are the key properties of 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one?
6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one has a molecular weight of 187.63 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one is sourced from PubChem (CID 83851964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).