4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C13H25N5 — CID 80777700

IUPAC4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCCN(C)C)c1C(C)C
InChIInChI=1S/C13H25N5/c1-10(2)11-12(14-3)16-9-17-13(11)15-7-6-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyVWPWWDFBASLQQR-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.01
Rot. Bonds7

About 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80777700) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80777700
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCCN(C)C)c1C(C)C
InChIInChI=1S/C13H25N5/c1-10(2)11-12(14-3)16-9-17-13(11)15-7-6-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyVWPWWDFBASLQQR-UHFFFAOYSA-N
XLogP2.01
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-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-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
6-N-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796552
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-N-methyl-4-N-(3-methylsulfinylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 113488418
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-[2-[ethyl(methyl)amino]ethyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80833363
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80777700) is 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCCCN(C)C)c1C(C)C.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VWPWWDFBASLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10(2)11-12(14-3)16-9-17-13(11)15-7-6-8-18(4)5/h9-10H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).