N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

C23H33N5O — CID 11795011

IUPACN-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESCOc1ccccc1N1CCN(CCC2CCC(Nc3ncccn3)CC2)CC1
InChIInChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)
InChIKeyHWSOAPGUROKPOX-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 11795011) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID11795011
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESCOc1ccccc1N1CCN(CCC2CCC(Nc3ncccn3)CC2)CC1
InChIInChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26)
InChIKeyHWSOAPGUROKPOX-UHFFFAOYSA-N
XLogP3.67
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Lexibulin
CID 11351021
2,6-dimethylphenyl N-(2-methoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate
CID 11844764
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
[11C]Jway
CID 11834378
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
Bisanilinopyrimidine, 6f
CID 70702137
2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005987
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]pyrimidine-2,4-diamine
CID 56966978
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
5-[(4-Amino-3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 13043128

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (CID 11795011) is N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is COc1ccccc1N1CCN(CCC2CCC(Nc3ncccn3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is HWSOAPGUROKPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-29-22-6-3-2-5-21(22)28-17-15-27(16-18-28)14-11-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h2-6,12-13,19-20H,7-11,14-18H2,1H3,(H,24,25,26).
What are the key properties of N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 395.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 11795011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).