N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine

C17H16FN3S — CID 46948639

IUPACN-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(F)cc1-c1nc(NCC2CC2)nc2ccsc12
InChIInChI=1S/C17H16FN3S/c1-10-2-5-12(18)8-13(10)15-16-14(6-7-22-16)20-17(21-15)19-9-11-3-4-11/h2,5-8,11H,3-4,9H2,1H3,(H,19,20,21)
InChIKeyXFTXRGJGNWUBIE-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.63
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine

N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 46948639) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID46948639
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC NameN-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine
SMILESCc1ccc(F)cc1-c1nc(NCC2CC2)nc2ccsc12
InChIInChI=1S/C17H16FN3S/c1-10-2-5-12(18)8-13(10)15-16-14(6-7-22-16)20-17(21-15)19-9-11-3-4-11/h2,5-8,11H,3-4,9H2,1H3,(H,19,20,21)
InChIKeyXFTXRGJGNWUBIE-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine (CID 46948639) is N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine is Cc1ccc(F)cc1-c1nc(NCC2CC2)nc2ccsc12.
What is the InChIKey of N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is XFTXRGJGNWUBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c1-10-2-5-12(18)8-13(10)15-16-14(6-7-22-16)20-17(21-15)19-9-11-3-4-11/h2,5-8,11H,3-4,9H2,1H3,(H,19,20,21).
What are the key properties of N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine?
N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(5-fluoro-2-methylphenyl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 46948639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).