(Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine

C17H17FN4O — CID 89011106

IUPAC(Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine
SMILESC=C1OC=CN1/C(C1=CCN=C(C)N1)=C(\N)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c1-11-20-8-7-15(21-11)17(22-9-10-23-12(22)2)16(19)13-3-5-14(18)6-4-13/h3-7,9-10H,2,8,19H2,1H3,(H,20,21)/b17-16-
InChIKeyVWRBZXBNDRLCSS-MSUUIHNZSA-N
MW312.35 g/mol
LogP2.63
Rot. Bonds3

About (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine

(Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine (PubChem CID 89011106) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine
PubChem CID89011106
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name(Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine
SMILESC=C1OC=CN1/C(C1=CCN=C(C)N1)=C(\N)c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O/c1-11-20-8-7-15(21-11)17(22-9-10-23-12(22)2)16(19)13-3-5-14(18)6-4-13/h3-7,9-10H,2,8,19H2,1H3,(H,20,21)/b17-16-
InChIKeyVWRBZXBNDRLCSS-MSUUIHNZSA-N
XLogP2.63
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine?
The IUPAC name of (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine (CID 89011106) is (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine is C=C1OC=CN1/C(C1=CCN=C(C)N1)=C(\N)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine?
The InChIKey is VWRBZXBNDRLCSS-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-20-8-7-15(21-11)17(22-9-10-23-12(22)2)16(19)13-3-5-14(18)6-4-13/h3-7,9-10H,2,8,19H2,1H3,(H,20,21)/b17-16-.
What are the key properties of (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine?
(Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine has a molecular weight of 312.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-2-(2-methyl-1,4-dihydropyrimidin-6-yl)-2-(2-methylidene-1,3-oxazol-3-yl)ethenamine is sourced from PubChem (CID 89011106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).