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

C15H20ClN5 — CID 112887825

IUPAC4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nccc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN5/c1-21(2)10-4-8-17-15-18-9-7-14(20-15)19-13-6-3-5-12(16)11-13/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyYCLWCFOELOJQNZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.24
Rot. Bonds7

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

4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (PubChem CID 112887825) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
PubChem CID112887825
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nccc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN5/c1-21(2)10-4-8-17-15-18-9-7-14(20-15)19-13-6-3-5-12(16)11-13/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,18,19,20)
InChIKeyYCLWCFOELOJQNZ-UHFFFAOYSA-N
XLogP3.24
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.24
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

2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-N-(2,6-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887902
4-N-(3-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112897013
N-[4-[6-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 11257563
N-[4-[[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112887854
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
4-N-(2,4-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887250
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901448
2-N-(2,5-dichlorophenyl)-4-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 91447813

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine (CID 112887825) is 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is CN(C)CCCNc1nccc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
The InChIKey is YCLWCFOELOJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-21(2)10-4-8-17-15-18-9-7-14(20-15)19-13-6-3-5-12(16)11-13/h3,5-7,9,11H,4,8,10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine has a molecular weight of 305.81 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112887825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).