5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine

C10H11BrN6O — CID 120921090

IUPAC5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESBrc1cncnc1N[C@H]1COC[C@H]1n1ccnn1
InChIInChI=1S/C10H11BrN6O/c11-7-3-12-6-13-10(7)15-8-4-18-5-9(8)17-2-1-14-16-17/h1-3,6,8-9H,4-5H2,(H,12,13,15)/t8-,9+/m0/s1
InChIKeyUZFOCNCTDPCBCU-DTWKUNHWSA-N
MW311.14 g/mol
LogP0.88
Rot. Bonds3

About 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine

5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 120921090) has the molecular formula C10H11BrN6O and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID120921090
Molecular FormulaC10H11BrN6O
Molecular Weight311.14 g/mol
Exact Mass310.02
IUPAC Name5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESBrc1cncnc1N[C@H]1COC[C@H]1n1ccnn1
InChIInChI=1S/C10H11BrN6O/c11-7-3-12-6-13-10(7)15-8-4-18-5-9(8)17-2-1-14-16-17/h1-3,6,8-9H,4-5H2,(H,12,13,15)/t8-,9+/m0/s1
InChIKeyUZFOCNCTDPCBCU-DTWKUNHWSA-N
XLogP0.88
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine 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 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine (CID 120921090) is 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine is Brc1cncnc1N[C@H]1COC[C@H]1n1ccnn1.
What is the InChIKey of 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is UZFOCNCTDPCBCU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11BrN6O/c11-7-3-12-6-13-10(7)15-8-4-18-5-9(8)17-2-1-14-16-17/h1-3,6,8-9H,4-5H2,(H,12,13,15)/t8-,9+/m0/s1.
What are the key properties of 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine?
5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 311.14 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 120921090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).