N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

C16H20ClN3O — CID 107560806

IUPACN-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)c1cc(OC)ncn1
InChIInChI=1S/C16H20ClN3O/c1-4-7-18-16(12-6-5-11(2)13(17)8-12)14-9-15(21-3)20-10-19-14/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyQZSICJMBPMOXOM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.54
Rot. Bonds6

About N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine

N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 107560806) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
PubChem CID107560806
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)c1cc(OC)ncn1
InChIInChI=1S/C16H20ClN3O/c1-4-7-18-16(12-6-5-11(2)13(17)8-12)14-9-15(21-3)20-10-19-14/h5-6,8-10,16,18H,4,7H2,1-3H3
InChIKeyQZSICJMBPMOXOM-UHFFFAOYSA-N
XLogP3.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952263
N-[(6-methoxypyrimidin-4-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 102952423
N-[(6-methoxypyrimidin-4-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 102952316
N-[(3-chloro-4-methylphenyl)-(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 107560822
N-[(3-chloro-4-methylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 107561571
N-[(3-chloro-4-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105025776
N-[(3-chloro-4-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022789
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(4-chloro-3-methoxyphenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 79698289
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[cyclopropyl-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine
CID 102952243
N-[(3-chloro-4-methylphenyl)-(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 107561653

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine (CID 107560806) is N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(Cl)c1)c1cc(OC)ncn1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is QZSICJMBPMOXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-7-18-16(12-6-5-11(2)13(17)8-12)14-9-15(21-3)20-10-19-14/h5-6,8-10,16,18H,4,7H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine?
N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107560806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).