2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

C17H25N3O5 — CID 91792273

IUPAC2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1=O
InChIInChI=1S/C17H25N3O5/c1-20-16(22)12(9-18-17(20)23)8-15(21)19-14-4-7-25-10-13(14)11-2-5-24-6-3-11/h9,11,13-14H,2-8,10H2,1H3,(H,18,23)(H,19,21)/t13-,14-/m0/s1
InChIKeyBVVOOUBUQRYDKY-KBPBESRZSA-N
MW351.40 g/mol
LogP-0.44
Rot. Bonds4

About 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide

2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (PubChem CID 91792273) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
PubChem CID91792273
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1=O
InChIInChI=1S/C17H25N3O5/c1-20-16(22)12(9-18-17(20)23)8-15(21)19-14-4-7-25-10-13(14)11-2-5-24-6-3-11/h9,11,13-14H,2-8,10H2,1H3,(H,18,23)(H,19,21)/t13-,14-/m0/s1
InChIKeyBVVOOUBUQRYDKY-KBPBESRZSA-N
XLogP-0.44
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide (CID 91792273) is 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is Cn1c(=O)[nH]cc(CC(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The InChIKey is BVVOOUBUQRYDKY-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-20-16(22)12(9-18-17(20)23)8-15(21)19-14-4-7-25-10-13(14)11-2-5-24-6-3-11/h9,11,13-14H,2-8,10H2,1H3,(H,18,23)(H,19,21)/t13-,14-/m0/s1.
What are the key properties of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide?
2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide has a molecular weight of 351.40 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 91792273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).