2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C21H27N5O5 — CID 25336706

IUPAC2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCCn1c(N)c(C(=O)CNc2ccccc2C(=O)NC[C@@H]2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C21H27N5O5/c1-2-9-26-18(22)17(20(29)25-21(26)30)16(27)12-23-15-8-4-3-7-14(15)19(28)24-11-13-6-5-10-31-13/h3-4,7-8,13,23H,2,5-6,9-12,22H2,1H3,(H,24,28)(H,25,29,30)/t13-/m0/s1
InChIKeyVCRPFRKXYRUQSX-ZDUSSCGKSA-N
MW429.48 g/mol
LogP0.73
Rot. Bonds9

About 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 25336706) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID25336706
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCCn1c(N)c(C(=O)CNc2ccccc2C(=O)NC[C@@H]2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C21H27N5O5/c1-2-9-26-18(22)17(20(29)25-21(26)30)16(27)12-23-15-8-4-3-7-14(15)19(28)24-11-13-6-5-10-31-13/h3-4,7-8,13,23H,2,5-6,9-12,22H2,1H3,(H,24,28)(H,25,29,30)/t13-/m0/s1
InChIKeyVCRPFRKXYRUQSX-ZDUSSCGKSA-N
XLogP0.73
TPSA148.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
N-[[(2R)-oxolan-2-yl]methyl]-2-propylsulfonylbenzamide
CID 27260765
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43917168
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 41210911
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25356675
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-methoxyethyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 9093448

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 25336706) is 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CCCn1c(N)c(C(=O)CNc2ccccc2C(=O)NC[C@@H]2CCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is VCRPFRKXYRUQSX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-2-9-26-18(22)17(20(29)25-21(26)30)16(27)12-23-15-8-4-3-7-14(15)19(28)24-11-13-6-5-10-31-13/h3-4,7-8,13,23H,2,5-6,9-12,22H2,1H3,(H,24,28)(H,25,29,30)/t13-/m0/s1.
What are the key properties of 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 0.73, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 25336706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).