4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

C14H17ClN4 — CID 80802407

IUPAC4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H3,16,17,18,19)
InChIKeyJAUCIGOVASKODN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.50
Rot. Bonds3

About 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80802407) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80802407
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H3,16,17,18,19)
InChIKeyJAUCIGOVASKODN-UHFFFAOYSA-N
XLogP3.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766348
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
6-chloro-N-[1-(4-ethylphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 106193534
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119
6-hydrazinyl-2,5-dimethyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80906911
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine
CID 121313849
6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 15916595

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (CID 80802407) is 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is JAUCIGOVASKODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-8-13(16)18-10(3)19-14(8)17-9(2)11-4-6-12(15)7-5-11/h4-7,9H,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80802407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).