6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine

C12H18ClN3 — CID 103724841

IUPAC6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2CC2CC)n1
InChIInChI=1S/C12H18ClN3/c1-4-8-6-9(8)14-12-7(3)11(13)15-10(5-2)16-12/h8-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAMHRFWHJVHFLKW-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.21
Rot. Bonds4

About 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine

6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine (PubChem CID 103724841) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine
PubChem CID103724841
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2CC2CC)n1
InChIInChI=1S/C12H18ClN3/c1-4-8-6-9(8)14-12-7(3)11(13)15-10(5-2)16-12/h8-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyAMHRFWHJVHFLKW-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
6-chloro-5-methyl-N-(2-methylcyclopropyl)-2-propylpyrimidin-4-amine
CID 80971739
6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80978454
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80974155
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80977885
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
6-chloro-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 133348560

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine (CID 103724841) is 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC2CC2CC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine?
The InChIKey is AMHRFWHJVHFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-4-8-6-9(8)14-12-7(3)11(13)15-10(5-2)16-12/h8-9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103724841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).