N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

C17H19N3O — CID 82249227

IUPACN-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
SMILESCOc1ccccc1Nc1ccccc1C1=NCCCN1
InChIInChI=1S/C17H19N3O/c1-21-16-10-5-4-9-15(16)20-14-8-3-2-7-13(14)17-18-11-6-12-19-17/h2-5,7-10,20H,6,11-12H2,1H3,(H,18,19)
InChIKeyLBDRAVZFHZZNIF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.18
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline (PubChem CID 82249227) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
PubChem CID82249227
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
SMILESCOc1ccccc1Nc1ccccc1C1=NCCCN1
InChIInChI=1S/C17H19N3O/c1-21-16-10-5-4-9-15(16)20-14-8-3-2-7-13(14)17-18-11-6-12-19-17/h2-5,7-10,20H,6,11-12H2,1H3,(H,18,19)
InChIKeyLBDRAVZFHZZNIF-UHFFFAOYSA-N
XLogP3.18
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
CID 82247068
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
CID 82241350
2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N-phenylacetamide
CID 82252786
N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]butane-1-sulfonamide
CID 82251562
N-(2-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345497
2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
CID 82240097
(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
CID 137034895
3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240192
N-[(5-bromo-2-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 20628576

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The IUPAC name of N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline (CID 82249227) is N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The canonical SMILES for N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline is COc1ccccc1Nc1ccccc1C1=NCCCN1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The InChIKey is LBDRAVZFHZZNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-21-16-10-5-4-9-15(16)20-14-8-3-2-7-13(14)17-18-11-6-12-19-17/h2-5,7-10,20H,6,11-12H2,1H3,(H,18,19).
What are the key properties of N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline has a molecular weight of 281.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline is sourced from PubChem (CID 82249227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).