4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile

C9H9ClN4 — CID 175640213

IUPAC4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C9H9ClN4/c10-7-5-9(13-8(6-11)12-7)14-3-1-2-4-14/h5H,1-4H2
InChIKeyJREOBLPCNSORQB-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.60
Rot. Bonds1

About 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile

4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile (PubChem CID 175640213) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
PubChem CID175640213
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C9H9ClN4/c10-7-5-9(13-8(6-11)12-7)14-3-1-2-4-14/h5H,1-4H2
InChIKeyJREOBLPCNSORQB-UHFFFAOYSA-N
XLogP1.60
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-2-carbonitrile
CID 175640206
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
4-piperidin-1-ylpyrimidine-2-carbonitrile
CID 130587546
4-chloro-N-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 123974719
4-(azetidin-1-yl)pyrimidine-2-carbonitrile
CID 126984085
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131
4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 19428512
2-chloro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-4-carbonitrile
CID 107224069
5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 58530978
1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane
CID 22488899
8-bromo-6-chloro-2-piperidin-1-ylquinoline-4-carbonitrile
CID 175992745
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
CID 121204773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
The IUPAC name of 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile (CID 175640213) is 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile is N#Cc1nc(Cl)cc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
The InChIKey is JREOBLPCNSORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-7-5-9(13-8(6-11)12-7)14-3-1-2-4-14/h5H,1-4H2.
What are the key properties of 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile?
4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile has a molecular weight of 208.65 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 175640213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).