(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide

C18H17F2N3O3 — CID 93053055

IUPAC(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cc(F)ccc1F)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C18H17F2N3O3/c1-4-14(16(24)22-13-7-11(19)5-6-12(13)20)23-8-21-17-15(18(23)25)9(2)10(3)26-17/h5-8,14H,4H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyYBUGWDVMPXPGOO-AWEZNQCLSA-N
MW361.35 g/mol
LogP3.47
Rot. Bonds4

About (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide

(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide (PubChem CID 93053055) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
PubChem CID93053055
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1cc(F)ccc1F)n1cnc2oc(C)c(C)c2c1=O
InChIInChI=1S/C18H17F2N3O3/c1-4-14(16(24)22-13-7-11(19)5-6-12(13)20)23-8-21-17-15(18(23)25)9(2)10(3)26-17/h5-8,14H,4H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyYBUGWDVMPXPGOO-AWEZNQCLSA-N
XLogP3.47
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 53024046
N-(3-acetylphenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide
CID 53054130
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53024051
(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7631288
N-(2,5-difluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 43883157
N-(2,5-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
CID 51237381
(2S)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxy-5-methylphenyl)butanamide
CID 92874956
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]butanamide
CID 46350161
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 55425773
1-(2,5-difluorophenyl)-3-pentan-3-ylurea
CID 47132779
N-(4-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024145
N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024146

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
The IUPAC name of (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide (CID 93053055) is (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide.
What is the SMILES notation for (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
The canonical SMILES for (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide is CC[C@@H](C(=O)Nc1cc(F)ccc1F)n1cnc2oc(C)c(C)c2c1=O.
What is the InChIKey of (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
The InChIKey is YBUGWDVMPXPGOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-4-14(16(24)22-13-7-11(19)5-6-12(13)20)23-8-21-17-15(18(23)25)9(2)10(3)26-17/h5-8,14H,4H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide?
(2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide has a molecular weight of 361.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-difluorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)butanamide is sourced from PubChem (CID 93053055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).