5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

C16H17ClFN3O2 — CID 135473091

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O2/c1-10-11(9-12-13(17)3-2-4-14(12)18)15(22)20-16(19-10)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)
InChIKeyFLGILDJWZMEOSS-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.30
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135473091) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135473091
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN3O2/c1-10-11(9-12-13(17)3-2-4-14(12)18)15(22)20-16(19-10)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)
InChIKeyFLGILDJWZMEOSS-UHFFFAOYSA-N
XLogP2.30
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholino-1H-pyrimidin-6-one
CID 135434839
7-[(5-Chloro-2-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665503
7-[(4-Chloro-2-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665504
7-[(2-Chloro-4-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665506
7-[(4-Chloro-3-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665505
5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-one
CID 4116780
N-(2-chloro-4-fluorobenzyl)-2-(4-methyl-2-morpholino-6-oxopyrimidin-1(6H)-yl)acetamide
CID 49667363
N-[1-(2-chlorophenyl)ethyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 136015818
7-[(3-Chloro-4-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665500
7-[(3-Chloro-2-fluorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665501
7-[(4-Chlorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665467
7-[(2-Chlorophenyl)methyl]-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665468

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135473091) is 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2)[nH]c(=O)c1Cc1c(F)cccc1Cl.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is FLGILDJWZMEOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O2/c1-10-11(9-12-13(17)3-2-4-14(12)18)15(22)20-16(19-10)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 337.78 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).