4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine

C12H12Cl2N4 — CID 80768406

IUPAC4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4/c1-2-15-12-16-6-5-11(18-12)17-10-7-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyHPNQMGQUUZRIQZ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.96
Rot. Bonds4

About 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine

4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80768406) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80768406
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4/c1-2-15-12-16-6-5-11(18-12)17-10-7-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyHPNQMGQUUZRIQZ-UHFFFAOYSA-N
XLogP3.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
4-chloro-3-[[2-(ethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80852171
4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893652
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-N-butan-2-yl-2-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112883648
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112904331
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80768406) is 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is HPNQMGQUUZRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-2-15-12-16-6-5-11(18-12)17-10-7-8(13)3-4-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80768406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).