6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine

C22H33N7O — CID 19153551

IUPAC6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(NCCN4CCOCC4)c3N)CC2)c1C
InChIInChI=1S/C22H33N7O/c1-17-4-3-5-19(18(17)2)28-8-10-29(11-9-28)22-20(23)21(25-16-26-22)24-6-7-27-12-14-30-15-13-27/h3-5,16H,6-15,23H2,1-2H3,(H,24,25,26)
InChIKeyNHGXNKJLNPYIIT-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.75
Rot. Bonds6

About 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine

6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine (PubChem CID 19153551) has the molecular formula C22H33N7O and a molecular weight of 411.55 g/mol. Its IUPAC name is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
PubChem CID19153551
Molecular FormulaC22H33N7O
Molecular Weight411.55 g/mol
Exact Mass411.27
IUPAC Name6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(NCCN4CCOCC4)c3N)CC2)c1C
InChIInChI=1S/C22H33N7O/c1-17-4-3-5-19(18(17)2)28-8-10-29(11-9-28)22-20(23)21(25-16-26-22)24-6-7-27-12-14-30-15-13-27/h3-5,16H,6-15,23H2,1-2H3,(H,24,25,26)
InChIKeyNHGXNKJLNPYIIT-UHFFFAOYSA-N
XLogP1.75
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine 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

6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142625
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22546918
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147620
N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150929
4-N-(3,5-dimethylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541072
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-N-(2-methylquinolin-8-yl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19144965
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine (CID 19153551) is 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine is Cc1cccc(N2CCN(c3ncnc(NCCN4CCOCC4)c3N)CC2)c1C.
What is the InChIKey of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
The InChIKey is NHGXNKJLNPYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O/c1-17-4-3-5-19(18(17)2)28-8-10-29(11-9-28)22-20(23)21(25-16-26-22)24-6-7-27-12-14-30-15-13-27/h3-5,16H,6-15,23H2,1-2H3,(H,24,25,26).
What are the key properties of 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine?
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine has a molecular weight of 411.55 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19153551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).