6-chloro-N-ethyl-5-methylpyrimidin-4-amine

C7H10ClN3 — CID 63734594

IUPAC6-chloro-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Cl)c1C
InChIInChI=1S/C7H10ClN3/c1-3-9-7-5(2)6(8)10-4-11-7/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyGKRNMCWVGAPNJB-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.87
Rot. Bonds2

About 6-chloro-N-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 63734594) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID63734594
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name6-chloro-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Cl)c1C
InChIInChI=1S/C7H10ClN3/c1-3-9-7-5(2)6(8)10-4-11-7/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyGKRNMCWVGAPNJB-UHFFFAOYSA-N
XLogP1.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 65042609
6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350691
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-chloro-5-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115521565
4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560
3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5-methylpyrimidin-4-amine (CID 63734594) is 6-chloro-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Cl)c1C.
What is the InChIKey of 6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is GKRNMCWVGAPNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-3-9-7-5(2)6(8)10-4-11-7/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 6-chloro-N-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 171.63 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63734594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).