N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

C17H22N6O3 — CID 72908454

IUPACN-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(N2C[C@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](C3CC3)C2)ncn1
InChIInChI=1S/C17H22N6O3/c1-10-4-14(19-9-18-10)22-5-12(11-2-3-11)13(6-22)20-15(24)7-23-8-16(25)21-17(23)26/h4,9,11-13H,2-3,5-8H2,1H3,(H,20,24)(H,21,25,26)/t12-,13+/m1/s1
InChIKeyWIXQTQBYXJFQMW-OLZOCXBDSA-N
MW358.40 g/mol
LogP-0.33
Rot. Bonds5

About N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide (PubChem CID 72908454) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
PubChem CID72908454
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(N2C[C@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](C3CC3)C2)ncn1
InChIInChI=1S/C17H22N6O3/c1-10-4-14(19-9-18-10)22-5-12(11-2-3-11)13(6-22)20-15(24)7-23-8-16(25)21-17(23)26/h4,9,11-13H,2-3,5-8H2,1H3,(H,20,24)(H,21,25,26)/t12-,13+/m1/s1
InChIKeyWIXQTQBYXJFQMW-OLZOCXBDSA-N
XLogP-0.33
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide (CID 72908454) is N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide is Cc1cc(N2C[C@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](C3CC3)C2)ncn1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is WIXQTQBYXJFQMW-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-10-4-14(19-9-18-10)22-5-12(11-2-3-11)13(6-22)20-15(24)7-23-8-16(25)21-17(23)26/h4,9,11-13H,2-3,5-8H2,1H3,(H,20,24)(H,21,25,26)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 72908454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).