N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride

C7H10Cl2N4O — CID 119382371

IUPACN-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncncc1Cl
InChIInChI=1S/C7H9ClN4O.ClH/c8-5-3-10-4-12-6(5)7(13)11-2-1-9;/h3-4H,1-2,9H2,(H,11,13);1H
InChIKeyNYHZGEMACSBJNM-UHFFFAOYSA-N
MW237.09 g/mol
LogP0.24
Rot. Bonds3

About N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride (PubChem CID 119382371) has the molecular formula C7H10Cl2N4O and a molecular weight of 237.09 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
PubChem CID119382371
Molecular FormulaC7H10Cl2N4O
Molecular Weight237.09 g/mol
Exact Mass236.02
IUPAC NameN-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncncc1Cl
InChIInChI=1S/C7H9ClN4O.ClH/c8-5-3-10-4-12-6(5)7(13)11-2-1-9;/h3-4H,1-2,9H2,(H,11,13);1H
InChIKeyNYHZGEMACSBJNM-UHFFFAOYSA-N
XLogP0.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride (CID 119382371) is N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ncncc1Cl.
What is the InChIKey of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride?
The InChIKey is NYHZGEMACSBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O.ClH/c8-5-3-10-4-12-6(5)7(13)11-2-1-9;/h3-4H,1-2,9H2,(H,11,13);1H.
What are the key properties of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride has a molecular weight of 237.09 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119382371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).