6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine

C16H26ClN3 — CID 80971890

IUPAC6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCC2CCC(CC)CC2)n1
InChIInChI=1S/C16H26ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h12-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyQVIGFAAXCSROBE-UHFFFAOYSA-N
MW295.86 g/mol
LogP4.63
Rot. Bonds5

About 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine

6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine (PubChem CID 80971890) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
PubChem CID80971890
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCC2CCC(CC)CC2)n1
InChIInChI=1S/C16H26ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h12-13H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyQVIGFAAXCSROBE-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148545
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80977885
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
3-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114148518
6-chloro-N-(2-cyclohexyloxyethyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80972684
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine (CID 80971890) is 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCC2CCC(CC)CC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine?
The InChIKey is QVIGFAAXCSROBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-12-6-8-13(9-7-12)10-18-16-11(3)15(17)19-14(5-2)20-16/h12-13H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine?
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine has a molecular weight of 295.86 g/mol, XLogP of 4.63, 5 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-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80971890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).