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

C16H26N4O5 — CID 91796495

IUPACN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O5/c1-19(2)5-7-25-13-4-6-24-10-12(13)18-14(21)8-11-9-17-16(23)20(3)15(11)22/h9,12-13H,4-8,10H2,1-3H3,(H,17,23)(H,18,21)/t12-,13+/m1/s1
InChIKeyZWTFFNWCCBFZSC-OLZOCXBDSA-N
MW354.41 g/mol
LogP-1.53
Rot. Bonds7

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

N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91796495) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91796495
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O5/c1-19(2)5-7-25-13-4-6-24-10-12(13)18-14(21)8-11-9-17-16(23)20(3)15(11)22/h9,12-13H,4-8,10H2,1-3H3,(H,17,23)(H,18,21)/t12-,13+/m1/s1
InChIKeyZWTFFNWCCBFZSC-OLZOCXBDSA-N
XLogP-1.53
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91796495) is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CN(C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is ZWTFFNWCCBFZSC-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-19(2)5-7-25-13-4-6-24-10-12(13)18-14(21)8-11-9-17-16(23)20(3)15(11)22/h9,12-13H,4-8,10H2,1-3H3,(H,17,23)(H,18,21)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of -1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91796495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).