4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C20H30N6O — CID 112913560

IUPAC4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCCN(C)C)nc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C20H30N6O/c1-16-15-19(21-9-6-10-25(2)3)24-20(22-16)23-17-7-4-5-8-18(17)26-11-13-27-14-12-26/h4-5,7-8,15H,6,9-14H2,1-3H3,(H2,21,22,23,24)
InChIKeyFTZWETIOXSMTOG-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.73
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112913560) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112913560
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCCN(C)C)nc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C20H30N6O/c1-16-15-19(21-9-6-10-25(2)3)24-20(22-16)23-17-7-4-5-8-18(17)26-11-13-27-14-12-26/h4-5,7-8,15H,6,9-14H2,1-3H3,(H2,21,22,23,24)
InChIKeyFTZWETIOXSMTOG-UHFFFAOYSA-N
XLogP2.73
TPSA65.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-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-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907068
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913122
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044
N-[3-(dimethylamino)propyl]-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109366826
2-N-(3-chloro-2-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913522
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112913561
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
2-N-(2-bromophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913247

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 112913560) is 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Cc1cc(NCCCN(C)C)nc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FTZWETIOXSMTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16-15-19(21-9-6-10-25(2)3)24-20(22-16)23-17-7-4-5-8-18(17)26-11-13-27-14-12-26/h4-5,7-8,15H,6,9-14H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 370.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112913560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).