6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine

C16H16FN5S — CID 126840181

IUPAC6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine
SMILESFc1cc(NCCCCc2nc(-c3ccccn3)cs2)ncn1
InChIInChI=1S/C16H16FN5S/c17-14-9-15(21-11-20-14)19-8-4-2-6-16-22-13(10-23-16)12-5-1-3-7-18-12/h1,3,5,7,9-11H,2,4,6,8H2,(H,19,20,21)
InChIKeyGHNSIBRQZPUOBZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.57
Rot. Bonds7

About 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine

6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine (PubChem CID 126840181) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine
PubChem CID126840181
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC Name6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine
SMILESFc1cc(NCCCCc2nc(-c3ccccn3)cs2)ncn1
InChIInChI=1S/C16H16FN5S/c17-14-9-15(21-11-20-14)19-8-4-2-6-16-22-13(10-23-16)12-5-1-3-7-18-12/h1,3,5,7,9-11H,2,4,6,8H2,(H,19,20,21)
InChIKeyGHNSIBRQZPUOBZ-UHFFFAOYSA-N
XLogP3.57
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pentan-1-amine
CID 82102804
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
5-chloro-2-fluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126260
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
3-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propoxy]aniline
CID 94778254
2,2-dimethyl-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanoic acid
CID 116965801
N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine
CID 18440299
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
CID 110317579
3-ethoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102961

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine (CID 126840181) is 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine is Fc1cc(NCCCCc2nc(-c3ccccn3)cs2)ncn1.
What is the InChIKey of 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine?
The InChIKey is GHNSIBRQZPUOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c17-14-9-15(21-11-20-14)19-8-4-2-6-16-22-13(10-23-16)12-5-1-3-7-18-12/h1,3,5,7,9-11H,2,4,6,8H2,(H,19,20,21).
What are the key properties of 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine?
6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(4-pyridin-2-yl-1,3-thiazol-2-yl)butyl]pyrimidin-4-amine is sourced from PubChem (CID 126840181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).