N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine

C16H24ClN3 — CID 80970610

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C16H24ClN3/c1-4-14-19-15(17)9(2)16(20-14)18-10(3)13-8-11-5-6-12(13)7-11/h10-13H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyCJYOMGBSRBHCRY-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.24
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80970610) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80970610
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C16H24ClN3/c1-4-14-19-15(17)9(2)16(20-14)18-10(3)13-8-11-5-6-12(13)7-11/h10-13H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyCJYOMGBSRBHCRY-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80979585
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80970027
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982157
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066587
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80974155
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-nitropyrimidin-4-amine
CID 62100526
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]isoquinolin-7-ol
CID 106537295
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177389
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine (CID 80970610) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is CJYOMGBSRBHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-4-14-19-15(17)9(2)16(20-14)18-10(3)13-8-11-5-6-12(13)7-11/h10-13H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 293.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).