4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine

C10H16ClN5 — CID 80735813

IUPAC4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCC1CN(c2cc(Cl)nc(N)n2)CCN1C
InChIInChI=1S/C10H16ClN5/c1-7-6-16(4-3-15(7)2)9-5-8(11)13-10(12)14-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyVIJYOEDVYWNUEL-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.85
Rot. Bonds1

About 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine

4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80735813) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80735813
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCC1CN(c2cc(Cl)nc(N)n2)CCN1C
InChIInChI=1S/C10H16ClN5/c1-7-6-16(4-3-15(7)2)9-5-8(11)13-10(12)14-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyVIJYOEDVYWNUEL-UHFFFAOYSA-N
XLogP0.85
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
CID 80945946
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
6-(3,4-dimethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80958087
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chloropyrimidin-2-amine
CID 112725444
4-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-6-chloropyrimidin-2-amine
CID 124784815
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
3-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridazine
CID 63604413
[6-(3,4-dimethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80910003
4-chloro-6-(3-methylsulfanylazepan-1-yl)pyrimidin-2-amine
CID 133395200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine (CID 80735813) is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine is CC1CN(c2cc(Cl)nc(N)n2)CCN1C.
What is the InChIKey of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VIJYOEDVYWNUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-7-6-16(4-3-15(7)2)9-5-8(11)13-10(12)14-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 241.73 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80735813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).