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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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).