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

C7H8ClN5O — CID 134097430

IUPAC2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(N)nc1NCCO
InChIInChI=1S/C7H8ClN5O/c8-5-4(3-9)6(11-1-2-14)13-7(10)12-5/h14H,1-2H2,(H3,10,11,12,13)
InChIKeyBDFSGWBQTUTNMT-UHFFFAOYSA-N
MW213.63 g/mol
LogP-0.01
Rot. Bonds3

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

2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (PubChem CID 134097430) has the molecular formula C7H8ClN5O and a molecular weight of 213.63 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
PubChem CID134097430
Molecular FormulaC7H8ClN5O
Molecular Weight213.63 g/mol
Exact Mass213.04
IUPAC Name2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)nc(N)nc1NCCO
InChIInChI=1S/C7H8ClN5O/c8-5-4(3-9)6(11-1-2-14)13-7(10)12-5/h14H,1-2H2,(H3,10,11,12,13)
InChIKeyBDFSGWBQTUTNMT-UHFFFAOYSA-N
XLogP-0.01
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 5-0.01
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?
The IUPAC name of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile (CID 134097430) is 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile is N#Cc1c(Cl)nc(N)nc1NCCO.
What is the InChIKey of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
The InChIKey is BDFSGWBQTUTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O/c8-5-4(3-9)6(11-1-2-14)13-7(10)12-5/h14H,1-2H2,(H3,10,11,12,13).
What are the key properties of 2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile?
2-amino-4-chloro-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile has a molecular weight of 213.63 g/mol, XLogP of -0.01, 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 is sourced from PubChem (CID 134097430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).