(5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide

C7H10FN5O3 — CID 70145568

IUPAC(5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide
SMILESNC(=O)NC1=NC(CF)[C@H](C(N)=O)C(=O)N1
InChIInChI=1S/C7H10FN5O3/c8-1-2-3(4(9)14)5(15)12-7(11-2)13-6(10)16/h2-3H,1H2,(H2,9,14)(H4,10,11,12,13,15,16)/t2?,3-/m1/s1
InChIKeyYCHQODNKBBBBLE-ZJRLKYRESA-N
MW231.19 g/mol
LogP-2.42
Rot. Bonds2

About (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide

(5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 70145568) has the molecular formula C7H10FN5O3 and a molecular weight of 231.19 g/mol. Its IUPAC name is (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID70145568
Molecular FormulaC7H10FN5O3
Molecular Weight231.19 g/mol
Exact Mass231.08
IUPAC Name(5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide
SMILESNC(=O)NC1=NC(CF)[C@H](C(N)=O)C(=O)N1
InChIInChI=1S/C7H10FN5O3/c8-1-2-3(4(9)14)5(15)12-7(11-2)13-6(10)16/h2-3H,1H2,(H2,9,14)(H4,10,11,12,13,15,16)/t2?,3-/m1/s1
InChIKeyYCHQODNKBBBBLE-ZJRLKYRESA-N
XLogP-2.42
TPSA139.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide (CID 70145568) is (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide is NC(=O)NC1=NC(CF)[C@H](C(N)=O)C(=O)N1.
What is the InChIKey of (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is YCHQODNKBBBBLE-ZJRLKYRESA-N. The full InChI is InChI=1S/C7H10FN5O3/c8-1-2-3(4(9)14)5(15)12-7(11-2)13-6(10)16/h2-3H,1H2,(H2,9,14)(H4,10,11,12,13,15,16)/t2?,3-/m1/s1.
What are the key properties of (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide?
(5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 231.19 g/mol, XLogP of -2.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(carbamoylamino)-4-(fluoromethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70145568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).