1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one

C15H13ClN4O2 — CID 149193908

IUPAC1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one
SMILESC=C1CCN(c2cnc(Oc3ccc(Cl)cc3)nc2)C(=O)N1
InChIInChI=1S/C15H13ClN4O2/c1-10-6-7-20(15(21)19-10)12-8-17-14(18-9-12)22-13-4-2-11(16)3-5-13/h2-5,8-9H,1,6-7H2,(H,19,21)
InChIKeyXDJHJYJDBVMFEE-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.36
Rot. Bonds3

About 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one

1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one (PubChem CID 149193908) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one
PubChem CID149193908
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one
SMILESC=C1CCN(c2cnc(Oc3ccc(Cl)cc3)nc2)C(=O)N1
InChIInChI=1S/C15H13ClN4O2/c1-10-6-7-20(15(21)19-10)12-8-17-14(18-9-12)22-13-4-2-11(16)3-5-13/h2-5,8-9H,1,6-7H2,(H,19,21)
InChIKeyXDJHJYJDBVMFEE-UHFFFAOYSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 142487374
1-[2-(2-methylphenoxy)pyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 153312448
1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one
CID 167658335
1-[2-(4-methyl-3-phenylcyclohexa-1,5-dien-1-yl)oxypyrimidin-5-yl]-1,3-diazinane-2,4-dione
CID 163640505
1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione
CID 177017318
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-[3-[3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)quinolin-6-yl]oxypropoxy]propyl]acetamide
CID 135273187
1-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]-1,3-diazinane-2,4-dione
CID 162507471
4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one
CID 167585017
2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
CID 5065856
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-phenoxy-5-piperidin-1-ylpyrimidine
CID 150345244
1-[3-(4-fluorophenoxy)phenyl]-1,3-diazinane-2,4-dione
CID 162507635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one?
The IUPAC name of 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one (CID 149193908) is 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one is C=C1CCN(c2cnc(Oc3ccc(Cl)cc3)nc2)C(=O)N1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one?
The InChIKey is XDJHJYJDBVMFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-10-6-7-20(15(21)19-10)12-8-17-14(18-9-12)22-13-4-2-11(16)3-5-13/h2-5,8-9H,1,6-7H2,(H,19,21).
What are the key properties of 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one?
1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one has a molecular weight of 316.75 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)pyrimidin-5-yl]-4-methylidene-1,3-diazinan-2-one is sourced from PubChem (CID 149193908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).