2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride

C7H9Cl2N5O — CID 155566214

IUPAC2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)nc(N)nc1NCCO
InChIInChI=1S/C7H8ClN5O.ClH/c8-5-4(3-9)6(11-1-2-14)13-7(10)12-5;/h14H,1-2H2,(H3,10,11,12,13);1H
InChIKeyRGLYMMYIZSCWKL-UHFFFAOYSA-N
MW250.09 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride

2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride (PubChem CID 155566214) has the molecular formula C7H9Cl2N5O and a molecular weight of 250.09 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride
PubChem CID155566214
Molecular FormulaC7H9Cl2N5O
Molecular Weight250.09 g/mol
Exact Mass249.02
IUPAC Name2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1c(Cl)nc(N)nc1NCCO
InChIInChI=1S/C7H8ClN5O.ClH/c8-5-4(3-9)6(11-1-2-14)13-7(10)12-5;/h14H,1-2H2,(H3,10,11,12,13);1H
InChIKeyRGLYMMYIZSCWKL-UHFFFAOYSA-N
XLogP0.41
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride (CID 155566214) is 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride is Cl.N#Cc1c(Cl)nc(N)nc1NCCO.
What is the InChIKey of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride?
The InChIKey is RGLYMMYIZSCWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O.ClH/c8-5-4(3-9)6(11-1-2-14)13-7(10)12-5;/h14H,1-2H2,(H3,10,11,12,13);1H.
What are the key properties of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride?
2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride has a molecular weight of 250.09 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 155566214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).