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

C17H26ClN3 — CID 80979585

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C17H26ClN3/c1-4-5-15-20-16(18)10(2)17(21-15)19-11(3)14-9-12-6-7-13(14)8-12/h11-14H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyGHSHLCYYAAIYDA-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.63
Rot. Bonds5

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80979585) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80979585
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C17H26ClN3/c1-4-5-15-20-16(18)10(2)17(21-15)19-11(3)14-9-12-6-7-13(14)8-12/h11-14H,4-9H2,1-3H3,(H,19,20,21)
InChIKeyGHSHLCYYAAIYDA-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80970610
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489
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-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
6-chloro-5-methyl-N-(2-methylcyclopropyl)-2-propylpyrimidin-4-amine
CID 80971739
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114156614
6-chloro-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propylpyrimidin-4-amine
CID 80979033

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine (CID 80979585) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is GHSHLCYYAAIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-4-5-15-20-16(18)10(2)17(21-15)19-11(3)14-9-12-6-7-13(14)8-12/h11-14H,4-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 307.87 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 N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80979585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).