N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine

C15H24ClN3O — CID 115975672

IUPACN-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(N(CCCl)C2CCCCC2)n1
InChIInChI=1S/C15H24ClN3O/c1-12(2)20-14-8-10-17-15(18-14)19(11-9-16)13-6-4-3-5-7-13/h8,10,12-13H,3-7,9,11H2,1-2H3
InChIKeyLOACVKZSJVRQHH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.64
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine

N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975672) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
PubChem CID115975672
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(N(CCCl)C2CCCCC2)n1
InChIInChI=1S/C15H24ClN3O/c1-12(2)20-14-8-10-17-15(18-14)19(11-9-16)13-6-4-3-5-7-13/h8,10,12-13H,3-7,9,11H2,1-2H3
InChIKeyLOACVKZSJVRQHH-UHFFFAOYSA-N
XLogP3.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
N-(2-chloroethyl)-N-cyclopentyl-4-methylpyrimidin-2-amine
CID 63388934
4-N-(2-chloroethyl)-4-N-cyclopentyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830311
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
N-[2-(chloromethyl)cyclohexyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106365613
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
N'-cyclobutyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 102874839
N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639126
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
CID 63388277
N-(2-chloroethyl)-N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 55184049

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine (CID 115975672) is N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(N(CCCl)C2CCCCC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is LOACVKZSJVRQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-12(2)20-14-8-10-17-15(18-14)19(11-9-16)13-6-4-3-5-7-13/h8,10,12-13H,3-7,9,11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine?
N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 297.83 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).