5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine

C10H12FN5 — CID 75483060

IUPAC5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
SMILESFc1cnc(NCCCn2ccnc2)nc1
InChIInChI=1S/C10H12FN5/c11-9-6-14-10(15-7-9)13-2-1-4-16-5-3-12-8-16/h3,5-8H,1-2,4H2,(H,13,14,15)
InChIKeyUBDPXMUSVXJCMD-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.31
Rot. Bonds5

About 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine

5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine (PubChem CID 75483060) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
PubChem CID75483060
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
SMILESFc1cnc(NCCCn2ccnc2)nc1
InChIInChI=1S/C10H12FN5/c11-9-6-14-10(15-7-9)13-2-1-4-16-5-3-12-8-16/h3,5-8H,1-2,4H2,(H,13,14,15)
InChIKeyUBDPXMUSVXJCMD-UHFFFAOYSA-N
XLogP1.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine (CID 75483060) is 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine is Fc1cnc(NCCCn2ccnc2)nc1.
What is the InChIKey of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is UBDPXMUSVXJCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c11-9-6-14-10(15-7-9)13-2-1-4-16-5-3-12-8-16/h3,5-8H,1-2,4H2,(H,13,14,15).
What are the key properties of 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine?
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 221.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 75483060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).