2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine

C15H18Cl2N4 — CID 112881814

IUPAC2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-2-7-18-14-6-9-20-15(21-14)19-8-5-11-3-4-12(16)10-13(11)17/h3-4,6,9-10H,2,5,7-8H2,1H3,(H2,18,19,20,21)
InChIKeyGBEAPQBFQQLEJL-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.26
Rot. Bonds7

About 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine

2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881814) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881814
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-2-7-18-14-6-9-20-15(21-14)19-8-5-11-3-4-12(16)10-13(11)17/h3-4,6,9-10H,2,5,7-8H2,1H3,(H2,18,19,20,21)
InChIKeyGBEAPQBFQQLEJL-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886247
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
N-[2-(2,4-dichlorophenyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115974417
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886912
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888143
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
4-[2-[[2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797099
4-N-[2-(3-chlorophenyl)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894599

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine (CID 112881814) is 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is GBEAPQBFQQLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-2-7-18-14-6-9-20-15(21-14)19-8-5-11-3-4-12(16)10-13(11)17/h3-4,6,9-10H,2,5,7-8H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine?
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 325.24 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).