N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine

C15H18ClN3O — CID 79698289

IUPACN-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccncn1
InChIInChI=1S/C15H18ClN3O/c1-3-7-18-15(13-6-8-17-10-19-13)11-4-5-12(16)14(9-11)20-2/h4-6,8-10,15,18H,3,7H2,1-2H3
InChIKeySRPSVTQHBZUOOC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.23
Rot. Bonds6

About N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine

N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine (PubChem CID 79698289) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine
PubChem CID79698289
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)c1ccncn1
InChIInChI=1S/C15H18ClN3O/c1-3-7-18-15(13-6-8-17-10-19-13)11-4-5-12(16)14(9-11)20-2/h4-6,8-10,15,18H,3,7H2,1-2H3
InChIKeySRPSVTQHBZUOOC-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105164640
N-[(4-chloro-3-methoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105164514
N-[pyrimidin-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63987510
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083
N-[(2,3-dichlorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 63987505
N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 107560806
N-[(4-bromothiophen-2-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 79697203
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
N-[1-[4-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699320
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine (CID 79698289) is N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine is CCCNC(c1ccc(Cl)c(OC)c1)c1ccncn1.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine?
The InChIKey is SRPSVTQHBZUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-7-18-15(13-6-8-17-10-19-13)11-4-5-12(16)14(9-11)20-2/h4-6,8-10,15,18H,3,7H2,1-2H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine?
N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine has a molecular weight of 291.78 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 79698289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).