4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine

C7H11ClN4 — CID 82504345

IUPAC4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(Cl)c(CN)n1
InChIInChI=1S/C7H11ClN4/c1-12(2)7-10-4-5(8)6(3-9)11-7/h4H,3,9H2,1-2H3
InChIKeyWQMXSPQQUROCFZ-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.65
Rot. Bonds2

About 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine

4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine (PubChem CID 82504345) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine
PubChem CID82504345
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(Cl)c(CN)n1
InChIInChI=1S/C7H11ClN4/c1-12(2)7-10-4-5(8)6(3-9)11-7/h4H,3,9H2,1-2H3
InChIKeyWQMXSPQQUROCFZ-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine (CID 82504345) is 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(Cl)c(CN)n1.
What is the InChIKey of 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine?
The InChIKey is WQMXSPQQUROCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-12(2)7-10-4-5(8)6(3-9)11-7/h4H,3,9H2,1-2H3.
What are the key properties of 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine?
4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine has a molecular weight of 186.65 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 82504345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).