2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine

C12H15ClN6 — CID 21081013

IUPAC2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine
SMILESCN(C)c1cnc(Cl)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H15ClN6/c1-18(2)10-5-14-12(13)17-11(10)19-4-3-8-9(6-19)16-7-15-8/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyXXYOETIPXXZNBJ-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.48
Rot. Bonds2

About 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine

2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine (PubChem CID 21081013) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine
PubChem CID21081013
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine
SMILESCN(C)c1cnc(Cl)nc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H15ClN6/c1-18(2)10-5-14-12(13)17-11(10)19-4-3-8-9(6-19)16-7-15-8/h5,7H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyXXYOETIPXXZNBJ-UHFFFAOYSA-N
XLogP1.48
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine?
The IUPAC name of 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine (CID 21081013) is 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine?
The canonical SMILES for 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine is CN(C)c1cnc(Cl)nc1N1CCc2nc[nH]c2C1.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine?
The InChIKey is XXYOETIPXXZNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-18(2)10-5-14-12(13)17-11(10)19-4-3-8-9(6-19)16-7-15-8/h5,7H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine?
2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine has a molecular weight of 278.75 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyrimidin-5-amine is sourced from PubChem (CID 21081013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).