N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine

C17H24ClN3 — CID 80974155

IUPACN-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H24ClN3/c1-3-14-19-15(18)10(2)16(20-14)21-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,19,20,21)
InChIKeyXTLKYQYTONEWIY-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.38
Rot. Bonds3

About N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine

N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80974155) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80974155
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H24ClN3/c1-3-14-19-15(18)10(2)16(20-14)21-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,19,20,21)
InChIKeyXTLKYQYTONEWIY-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63734066
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
6-chloro-2-ethyl-N-(2-ethylcyclopropyl)-5-methylpyrimidin-4-amine
CID 103724841
6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 114096231
4-N-(1-adamantyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80768385
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80970610
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine (CID 80974155) is N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is XTLKYQYTONEWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-3-14-19-15(18)10(2)16(20-14)21-17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,3-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 305.85 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).