N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine

C14H16ClN3O — CID 66326911

IUPACN-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-9(11-4-6-12(15)7-5-11)16-13-8-14(19-3)18-10(2)17-13/h4-9H,1-3H3,(H,16,17,18)
InChIKeyPTPURBWXRDAQIA-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.62
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66326911) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66326911
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccc(Cl)cc2)nc(C)n1
InChIInChI=1S/C14H16ClN3O/c1-9(11-4-6-12(15)7-5-11)16-13-8-14(19-3)18-10(2)17-13/h4-9H,1-3H3,(H,16,17,18)
InChIKeyPTPURBWXRDAQIA-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66333286
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325662
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
6-ethoxy-N-[1-(4-ethylphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 66326077
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80801489
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66326911) is N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NC(C)c2ccc(Cl)cc2)nc(C)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is PTPURBWXRDAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(11-4-6-12(15)7-5-11)16-13-8-14(19-3)18-10(2)17-13/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).