5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine

C16H15N5O — CID 70484472

IUPAC5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N(C)c3ncccn3)nc2)cc1
InChIInChI=1S/C16H15N5O/c1-21(15-17-8-3-9-18-15)16-19-10-13(11-20-16)12-4-6-14(22-2)7-5-12/h3-11H,1-2H3
InChIKeyXLRJAVLEYLVHMZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.71
Rot. Bonds4

About 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine

5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine (PubChem CID 70484472) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine
PubChem CID70484472
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N(C)c3ncccn3)nc2)cc1
InChIInChI=1S/C16H15N5O/c1-21(15-17-8-3-9-18-15)16-19-10-13(11-20-16)12-4-6-14(22-2)7-5-12/h3-11H,1-2H3
InChIKeyXLRJAVLEYLVHMZ-UHFFFAOYSA-N
XLogP2.71
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-1,8-naphthyridine
CID 132535083
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
2-fluoro-5-(4-methoxyphenyl)pyridine
CID 26985626
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 40557940
2,3,5-tris(4-methoxyphenyl)pyridine
CID 10834626
5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
CID 4685164
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
4-(4-methoxyphenyl)pyridin-1-ium
CID 132526001

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine (CID 70484472) is 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine is COc1ccc(-c2cnc(N(C)c3ncccn3)nc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine?
The InChIKey is XLRJAVLEYLVHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21(15-17-8-3-9-18-15)16-19-10-13(11-20-16)12-4-6-14(22-2)7-5-12/h3-11H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine?
5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine has a molecular weight of 293.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-methyl-N-pyrimidin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 70484472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).