4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

C18H18N4O — CID 167757226

IUPAC4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2)nc(NCCc2cccnc2)n1
InChIInChI=1S/C18H18N4O/c1-14-12-17(23-16-7-3-2-4-8-16)22-18(21-14)20-11-9-15-6-5-10-19-13-15/h2-8,10,12-13H,9,11H2,1H3,(H,20,21,22)
InChIKeyRBXYOSHKGNYYCR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.63
Rot. Bonds6

About 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine

4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (PubChem CID 167757226) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
PubChem CID167757226
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2)nc(NCCc2cccnc2)n1
InChIInChI=1S/C18H18N4O/c1-14-12-17(23-16-7-3-2-4-8-16)22-18(21-14)20-11-9-15-6-5-10-19-13-15/h2-8,10,12-13H,9,11H2,1H3,(H,20,21,22)
InChIKeyRBXYOSHKGNYYCR-UHFFFAOYSA-N
XLogP3.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4,6-dichloro-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508229
1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 721063
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919423
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
4-methyl-6-phenoxy-2-phenylmethoxypyrimidine
CID 19693906
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine (CID 167757226) is 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is Cc1cc(Oc2ccccc2)nc(NCCc2cccnc2)n1.
What is the InChIKey of 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
The InChIKey is RBXYOSHKGNYYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-12-17(23-16-7-3-2-4-8-16)22-18(21-14)20-11-9-15-6-5-10-19-13-15/h2-8,10,12-13H,9,11H2,1H3,(H,20,21,22).
What are the key properties of 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine?
4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 167757226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).