4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine

C16H21ClN4 — CID 80809188

IUPAC4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C16H21ClN4/c1-5-18-16-19-10-11(2)15(20-16)21(4)12(3)13-8-6-7-9-14(13)17/h6-10,12H,5H2,1-4H3,(H,18,19,20)
InChIKeySTPMAMKAEKYYCL-UHFFFAOYSA-N
MW304.83 g/mol
LogP4.07
Rot. Bonds5

About 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine

4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80809188) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80809188
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(N(C)C(C)c2ccccc2Cl)n1
InChIInChI=1S/C16H21ClN4/c1-5-18-16-19-10-11(2)15(20-16)21(4)12(3)13-8-6-7-9-14(13)17/h6-10,12H,5H2,1-4H3,(H,18,19,20)
InChIKeySTPMAMKAEKYYCL-UHFFFAOYSA-N
XLogP4.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80802333
6-chloro-2-N-[1-(2-chlorophenyl)ethyl]-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80809006
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80638564
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
4-N-[1-(3-chlorophenyl)ethyl]-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80809659
2-N-ethyl-4-N,5-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80766637
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine (CID 80809188) is 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine is CCNc1ncc(C)c(N(C)C(C)c2ccccc2Cl)n1.
What is the InChIKey of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is STPMAMKAEKYYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-5-18-16-19-10-11(2)15(20-16)21(4)12(3)13-8-6-7-9-14(13)17/h6-10,12H,5H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 304.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethyl-4-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80809188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).