N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

C23H30N4 — CID 10642428

IUPACN-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESC1=C(c2ccccc2)CCN(CCC2CCC(Nc3ncccn3)CC2)C1
InChIInChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)
InChIKeyBDHDIEVXYUODTG-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10642428) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10642428
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC NameN-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESC1=C(c2ccccc2)CCN(CCC2CCC(Nc3ncccn3)CC2)C1
InChIInChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26)
InChIKeyBDHDIEVXYUODTG-UHFFFAOYSA-N
XLogP4.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (CID 10642428) is N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is C1=C(c2ccccc2)CCN(CCC2CCC(Nc3ncccn3)CC2)C1.
What is the InChIKey of N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is BDHDIEVXYUODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-2-5-20(6-3-1)21-12-17-27(18-13-21)16-11-19-7-9-22(10-8-19)26-23-24-14-4-15-25-23/h1-6,12,14-15,19,22H,7-11,13,16-18H2,(H,24,25,26).
What are the key properties of N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 362.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10642428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).