2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide

C14H23N5O3 — CID 125162554

IUPAC2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide
SMILESCN(C)[C@H]1CCN(CC(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H23N5O3/c1-18(2)11-4-6-19(8-11)9-12(20)15-5-3-10-7-16-14(22)17-13(10)21/h7,11H,3-6,8-9H2,1-2H3,(H,15,20)(H2,16,17,21,22)/t11-/m0/s1
InChIKeyPYHHZAMRVUAVLT-NSHDSACASA-N
MW309.37 g/mol
LogP-1.64
Rot. Bonds6

About 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide (PubChem CID 125162554) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide
PubChem CID125162554
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide
SMILESCN(C)[C@H]1CCN(CC(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C14H23N5O3/c1-18(2)11-4-6-19(8-11)9-12(20)15-5-3-10-7-16-14(22)17-13(10)21/h7,11H,3-6,8-9H2,1-2H3,(H,15,20)(H2,16,17,21,22)/t11-/m0/s1
InChIKeyPYHHZAMRVUAVLT-NSHDSACASA-N
XLogP-1.64
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide (CID 125162554) is 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide is CN(C)[C@H]1CCN(CC(=O)NCCc2c[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide?
The InChIKey is PYHHZAMRVUAVLT-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5O3/c1-18(2)11-4-6-19(8-11)9-12(20)15-5-3-10-7-16-14(22)17-13(10)21/h7,11H,3-6,8-9H2,1-2H3,(H,15,20)(H2,16,17,21,22)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide?
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of -1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]acetamide is sourced from PubChem (CID 125162554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).