5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine

C14H15N3O — CID 4685164

IUPAC5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1ncc(-c2ccc(OC)cc2)cn1
InChIInChI=1S/C14H15N3O/c1-3-8-15-14-16-9-12(10-17-14)11-4-6-13(18-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,15,16,17)
InChIKeyHGSGXLJYPJFRBP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.75
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine

5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine (PubChem CID 4685164) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
PubChem CID4685164
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1ncc(-c2ccc(OC)cc2)cn1
InChIInChI=1S/C14H15N3O/c1-3-8-15-14-16-9-12(10-17-14)11-4-6-13(18-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,15,16,17)
InChIKeyHGSGXLJYPJFRBP-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
4-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933451
5-chloro-N-prop-2-enylpyrimidin-2-amine
CID 79555505
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907953
2-N-[2-(4-methoxyphenoxy)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933302
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
2-(4-methoxyphenyl)-5-(prop-2-enylamino)-1,3-oxazole-4-carbonitrile
CID 2941177
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpyridin-2-amine
CID 46265210

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine (CID 4685164) is 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine is C=CCNc1ncc(-c2ccc(OC)cc2)cn1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is HGSGXLJYPJFRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-8-15-14-16-9-12(10-17-14)11-4-6-13(18-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,15,16,17).
What are the key properties of 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine?
5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 4685164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).