N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C14H20ClN3O — CID 122096000

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCCOc1ccc(CNC2=NCCCN2C)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-3-19-13-6-5-11(9-12(13)15)10-17-14-16-7-4-8-18(14)2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyXJLALXNTOZLOIV-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.52
Rot. Bonds4

About N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122096000) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122096000
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCCOc1ccc(CNC2=NCCCN2C)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-3-19-13-6-5-11(9-12(13)15)10-17-14-16-7-4-8-18(14)2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyXJLALXNTOZLOIV-UHFFFAOYSA-N
XLogP2.52
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972793
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
N-[(4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969673
1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095638
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
2-fluoro-4-[[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]methyl]benzonitrile
CID 122098141
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 154799371
3-chloro-4-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54864079

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122096000) is N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CCOc1ccc(CNC2=NCCCN2C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is XJLALXNTOZLOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-19-13-6-5-11(9-12(13)15)10-17-14-16-7-4-8-18(14)2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122096000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).