6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine

C10H12FN5 — CID 106196327

IUPAC6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1cc(F)ncn1)c1ncc[nH]1
InChIInChI=1S/C10H12FN5/c1-2-7(10-12-3-4-13-10)16-9-5-8(11)14-6-15-9/h3-7H,2H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyUXCVECOGZNNRNS-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.90
Rot. Bonds4

About 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine

6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine (PubChem CID 106196327) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine
PubChem CID106196327
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine
SMILESCCC(Nc1cc(F)ncn1)c1ncc[nH]1
InChIInChI=1S/C10H12FN5/c1-2-7(10-12-3-4-13-10)16-9-5-8(11)14-6-15-9/h3-7H,2H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyUXCVECOGZNNRNS-UHFFFAOYSA-N
XLogP1.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine (CID 106196327) is 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine is CCC(Nc1cc(F)ncn1)c1ncc[nH]1.
What is the InChIKey of 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine?
The InChIKey is UXCVECOGZNNRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-2-7(10-12-3-4-13-10)16-9-5-8(11)14-6-15-9/h3-7H,2H2,1H3,(H,12,13)(H,14,15,16).
What are the key properties of 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine?
6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(1H-imidazol-2-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 106196327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).