4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine

C13H15ClN4 — CID 84501147

IUPAC4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-2-8-15-13-16-9-7-12(18-13)17-11-6-4-3-5-10(11)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyPEOWXBUMRRPTBC-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.70
Rot. Bonds5

About 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 84501147) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID84501147
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-2-8-15-13-16-9-7-12(18-13)17-11-6-4-3-5-10(11)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyPEOWXBUMRRPTBC-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
4-N-(2,3-dichlorophenyl)-2-N-pentylpyrimidine-2,4-diamine
CID 112900546
4-N-(2-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881959
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
2-N-butyl-4-N-(2,6-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883132
4-N-(2,3-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887254
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
4-N-(2-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897320
4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891823

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine (CID 84501147) is 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2ccccc2Cl)n1.
What is the InChIKey of 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PEOWXBUMRRPTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-8-15-13-16-9-7-12(18-13)17-11-6-4-3-5-10(11)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 84501147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).