N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

C14H16ClN3O2 — CID 103292944

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1ncnc(OC)c1C
InChIInChI=1S/C14H16ClN3O2/c1-9-13(17-8-18-14(9)20-3)16-7-10-11(15)5-4-6-12(10)19-2/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyATKDDUYMMHABJG-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.07
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 103292944) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID103292944
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1cccc(Cl)c1CNc1ncnc(OC)c1C
InChIInChI=1S/C14H16ClN3O2/c1-9-13(17-8-18-14(9)20-3)16-7-10-11(15)5-4-6-12(10)19-2/h4-6,8H,7H2,1-3H3,(H,16,17,18)
InChIKeyATKDDUYMMHABJG-UHFFFAOYSA-N
XLogP3.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103292863
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332146
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 103292944) is N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is COc1cccc(Cl)c1CNc1ncnc(OC)c1C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is ATKDDUYMMHABJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-13(17-8-18-14(9)20-3)16-7-10-11(15)5-4-6-12(10)19-2/h4-6,8H,7H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 293.75 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103292944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).