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

C7H8ClN5 — CID 10655545

IUPAC4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C7H8ClN5/c1-13(2)7-11-5(8)4(3-9)6(10)12-7/h1-2H3,(H2,10,11,12)
InChIKeyBDVCIGODSLHSNY-UHFFFAOYSA-N
MW197.63 g/mol
LogP0.65
Rot. Bonds1

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

4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile (PubChem CID 10655545) has the molecular formula C7H8ClN5 and a molecular weight of 197.63 g/mol. Its IUPAC name is 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile
PubChem CID10655545
Molecular FormulaC7H8ClN5
Molecular Weight197.63 g/mol
Exact Mass197.05
IUPAC Name4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile
SMILESCN(C)c1nc(N)c(C#N)c(Cl)n1
InChIInChI=1S/C7H8ClN5/c1-13(2)7-11-5(8)4(3-9)6(10)12-7/h1-2H3,(H2,10,11,12)
InChIKeyBDVCIGODSLHSNY-UHFFFAOYSA-N
XLogP0.65
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile (CID 10655545) is 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile is CN(C)c1nc(N)c(C#N)c(Cl)n1.
What is the InChIKey of 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile?
The InChIKey is BDVCIGODSLHSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5/c1-13(2)7-11-5(8)4(3-9)6(10)12-7/h1-2H3,(H2,10,11,12).
What are the key properties of 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile?
4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile has a molecular weight of 197.63 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-2-(dimethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 10655545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).