4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine

C12H12Cl2N4 — CID 78929904

IUPAC4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C12H12Cl2N4/c13-9-2-1-8(10(14)5-9)3-4-16-12-6-11(15)17-7-18-12/h1-2,5-7H,3-4H2,(H3,15,16,17,18)
InChIKeyYRLVUNBOGDRXKP-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.02
Rot. Bonds4

About 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine

4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 78929904) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID78929904
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C12H12Cl2N4/c13-9-2-1-8(10(14)5-9)3-4-16-12-6-11(15)17-7-18-12/h1-2,5-7H,3-4H2,(H3,15,16,17,18)
InChIKeyYRLVUNBOGDRXKP-UHFFFAOYSA-N
XLogP3.02
TPSA63.83 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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80790889
6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
CID 121205983
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
4-(1-aminoethyl)-N-[2-(2,4-dichlorophenyl)ethyl]aniline
CID 130243936

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine (CID 78929904) is 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine is Nc1cc(NCCc2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is YRLVUNBOGDRXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c13-9-2-1-8(10(14)5-9)3-4-16-12-6-11(15)17-7-18-12/h1-2,5-7H,3-4H2,(H3,15,16,17,18).
What are the key properties of 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 283.16 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 78929904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).