N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine

C14H13FN4S — CID 166395521

IUPACN-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCC(CNc1ncc2sccc2n1)c1ccc(F)cn1
InChIInChI=1S/C14H13FN4S/c1-9(11-3-2-10(15)7-16-11)6-17-14-18-8-13-12(19-14)4-5-20-13/h2-5,7-9H,6H2,1H3,(H,17,18,19)
InChIKeyNMHKCZRGUWJJOQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine

N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 166395521) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID166395521
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC NameN-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCC(CNc1ncc2sccc2n1)c1ccc(F)cn1
InChIInChI=1S/C14H13FN4S/c1-9(11-3-2-10(15)7-16-11)6-17-14-18-8-13-12(19-14)4-5-20-13/h2-5,7-9H,6H2,1H3,(H,17,18,19)
InChIKeyNMHKCZRGUWJJOQ-UHFFFAOYSA-N
XLogP3.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
CID 83129735
N-(2-bromoprop-2-enyl)thieno[3,2-d]pyrimidin-2-amine
CID 130986276
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
CID 163723742
2-fluorothieno[3,2-d]pyrimidine
CID 155821803
1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
CID 141314561
N-[(E)-pent-2-en-2-yl]thieno[3,2-d]pyrimidin-2-amine
CID 155032361
N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-2-amine
CID 91801780
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
2-(tert-butylamino)-1-(5-fluoro-2-pyridinyl)ethanol
CID 138472981
thieno[3,2-d]pyrimidin-2-ylmethanamine
CID 82414555
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
2-[(2S)-3,3-dimethylbutan-2-yl]-5-fluoropyridine
CID 59539521

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine (CID 166395521) is N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine is CC(CNc1ncc2sccc2n1)c1ccc(F)cn1.
What is the InChIKey of N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is NMHKCZRGUWJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-9(11-3-2-10(15)7-16-11)6-17-14-18-8-13-12(19-14)4-5-20-13/h2-5,7-9H,6H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine?
N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-pyridinyl)propyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166395521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).