N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C18H27N3O — CID 110918334

IUPACN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1
InChIInChI=1S/C18H27N3O/c1-22-16-8-6-15(7-9-16)18(10-3-2-4-11-18)14-21-17-19-12-5-13-20-17/h6-9H,2-5,10-14H2,1H3,(H2,19,20,21)
InChIKeyBKJLJKUFVLLVFV-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.84
Rot. Bonds4

About N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110918334) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110918334
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1
InChIInChI=1S/C18H27N3O/c1-22-16-8-6-15(7-9-16)18(10-3-2-4-11-18)14-21-17-19-12-5-13-20-17/h6-9H,2-5,10-14H2,1H3,(H2,19,20,21)
InChIKeyBKJLJKUFVLLVFV-UHFFFAOYSA-N
XLogP2.84
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918202
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918030
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918345
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112962
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112672
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110936875
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914147

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110918334) is N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(C2(CNC3=NCCCN3)CCCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is BKJLJKUFVLLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-22-16-8-6-15(7-9-16)18(10-3-2-4-11-18)14-21-17-19-12-5-13-20-17/h6-9H,2-5,10-14H2,1H3,(H2,19,20,21).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 301.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110918334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).