2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine

C15H29N5 — CID 112887794

IUPAC2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(NCCCN(C)C)n1
InChIInChI=1S/C15H29N5/c1-5-11-20(12-6-2)14-8-10-17-15(18-14)16-9-7-13-19(3)4/h8,10H,5-7,9,11-13H2,1-4H3,(H,16,17,18)
InChIKeyBLJISLMOYSAKTK-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.47
Rot. Bonds10

About 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine

2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112887794) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
PubChem CID112887794
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ccnc(NCCCN(C)C)n1
InChIInChI=1S/C15H29N5/c1-5-11-20(12-6-2)14-8-10-17-15(18-14)16-9-7-13-19(3)4/h8,10H,5-7,9,11-13H2,1-4H3,(H,16,17,18)
InChIKeyBLJISLMOYSAKTK-UHFFFAOYSA-N
XLogP2.47
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-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

4-N-benzyl-2-N-[3-(dimethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 112887748
2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112895036
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
2-N-(4-methylphenyl)-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112901166
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
2-N-cycloheptyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112899961
2-[butyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80821107
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine (CID 112887794) is 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ccnc(NCCCN(C)C)n1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is BLJISLMOYSAKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-11-20(12-6-2)14-8-10-17-15(18-14)16-9-7-13-19(3)4/h8,10H,5-7,9,11-13H2,1-4H3,(H,16,17,18).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine?
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112887794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).