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

C16H23N5 — CID 23653485

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(NCCCN(C)C)n2)cc1
InChIInChI=1S/C16H23N5/c1-13-5-7-14(8-6-13)19-16-18-11-9-15(20-16)17-10-4-12-21(2)3/h5-9,11H,4,10,12H2,1-3H3,(H2,17,18,19,20)
InChIKeyHJRRUFHLGJLUOZ-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.89
Rot. Bonds7

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

4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 23653485) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID23653485
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(NCCCN(C)C)n2)cc1
InChIInChI=1S/C16H23N5/c1-13-5-7-14(8-6-13)19-16-18-11-9-15(20-16)17-10-4-12-21(2)3/h5-9,11H,4,10,12H2,1-3H3,(H2,17,18,19,20)
InChIKeyHJRRUFHLGJLUOZ-UHFFFAOYSA-N
XLogP2.89
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-N-[3-(dimethylamino)propyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112887588
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704
1-[4-[[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112887688
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
N-[4-[[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112887854
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
4-N-[3-(dimethylamino)propyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112887659

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 23653485) is 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(NCCCN(C)C)n2)cc1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is HJRRUFHLGJLUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13-5-7-14(8-6-13)19-16-18-11-9-15(20-16)17-10-4-12-21(2)3/h5-9,11H,4,10,12H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.89, 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]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 23653485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).