4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

C17H24N4 — CID 80982111

IUPAC4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-7-15-20-16(18-4)12(3)17(21-15)19-14-10-8-13(6-2)9-11-14/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyLMESNRQUTHLESM-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.09
Rot. Bonds6

About 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine

4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80982111) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80982111
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(Nc2ccc(CC)cc2)n1
InChIInChI=1S/C17H24N4/c1-5-7-15-20-16(18-4)12(3)17(21-15)19-14-10-8-13(6-2)9-11-14/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyLMESNRQUTHLESM-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81006486
6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80989080
2-ethyl-6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80994993
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007658
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80981793
4-N-(2-iodophenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976900
4-N-(2,4-dimethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977022
4-N-(5-chloro-2-methylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80976793
6-N,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80985315
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine (CID 80982111) is 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(Nc2ccc(CC)cc2)n1.
What is the InChIKey of 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is LMESNRQUTHLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-7-15-20-16(18-4)12(3)17(21-15)19-14-10-8-13(6-2)9-11-14/h8-11H,5-7H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine?
4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylphenyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80982111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).