5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride

C6H7ClN4 — CID 22476050

IUPAC5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncc(CN)cn1
InChIInChI=1S/C6H6N4.ClH/c7-1-5-3-9-6(2-8)10-4-5;/h3-4H,1,7H2;1H
InChIKeySRHHUPAIYYOBFM-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.23
Rot. Bonds1

About 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride

5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride (PubChem CID 22476050) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride
PubChem CID22476050
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1ncc(CN)cn1
InChIInChI=1S/C6H6N4.ClH/c7-1-5-3-9-6(2-8)10-4-5;/h3-4H,1,7H2;1H
InChIKeySRHHUPAIYYOBFM-UHFFFAOYSA-N
XLogP0.23
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride (CID 22476050) is 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride is Cl.N#Cc1ncc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride?
The InChIKey is SRHHUPAIYYOBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.ClH/c7-1-5-3-9-6(2-8)10-4-5;/h3-4H,1,7H2;1H.
What are the key properties of 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride?
5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyrimidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 22476050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).