6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine

C15H17N3O — CID 3723355

IUPAC6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(COC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-3-9-16-14-10-13(11-19-2)17-15(18-14)12-7-5-4-6-8-12/h3-8,10H,1,9,11H2,2H3,(H,16,17,18)
InChIKeyCHQUCSFGGICBCY-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.89
Rot. Bonds6

About 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine

6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 3723355) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
PubChem CID3723355
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(COC)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-3-9-16-14-10-13(11-19-2)17-15(18-14)12-7-5-4-6-8-12/h3-8,10H,1,9,11H2,2H3,(H,16,17,18)
InChIKeyCHQUCSFGGICBCY-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.89
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

1-(4-{2,4-Diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-3-propan-2-ylurea
CID 11154001
6-[(Benzyloxy)methyl]-5-{4-[(2,2-dimethylpropyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11176805
5-[4-(Benzylamino)phenyl]-6-[(benzyloxy)methyl]pyrimidine-2,4-diamine
CID 11281346
N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
(s)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea
CID 49857571
1-Ethyl-3-(4-(4-morpholino-7,8-dihydro-5h-pyrano[4,3-d]pyrimidin-2-yl)phenyl)urea
CID 53236131
1-Ethyl-3-(4-(4-morpholino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenyl)urea
CID 53236132
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
4-(1-Methoxycyclohexyl)-6-phenyl-2-pyrimidinamine
CID 745958
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
2-(4-bromophenyl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 57390457

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine (CID 3723355) is 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(COC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is CHQUCSFGGICBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-9-16-14-10-13(11-19-2)17-15(18-14)12-7-5-4-6-8-12/h3-8,10H,1,9,11H2,2H3,(H,16,17,18).
What are the key properties of 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine?
6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-phenyl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 3723355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).