2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide

C19H21N3O3 — CID 93053068

IUPAC2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCc1oc2ncn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C19H21N3O3/c1-12(15-7-5-4-6-8-15)9-20-16(23)10-22-11-21-18-17(19(22)24)13(2)14(3)25-18/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyQGVFRCGONBTNCL-LBPRGKRZSA-N
MW339.40 g/mol
LogP2.53
Rot. Bonds5

About 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide

2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 93053068) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID93053068
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESCc1oc2ncn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c1C
InChIInChI=1S/C19H21N3O3/c1-12(15-7-5-4-6-8-15)9-20-16(23)10-22-11-21-18-17(19(22)24)13(2)14(3)25-18/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyQGVFRCGONBTNCL-LBPRGKRZSA-N
XLogP2.53
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide (CID 93053068) is 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide is Cc1oc2ncn(CC(=O)NC[C@H](C)c3ccccc3)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is QGVFRCGONBTNCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(15-7-5-4-6-8-15)9-20-16(23)10-22-11-21-18-17(19(22)24)13(2)14(3)25-18/h4-8,11-12H,9-10H2,1-3H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide?
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 93053068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).