N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C19H19FN4S — CID 46345968

IUPACN-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1ccsc1CN1CCc2nc(Nc3ccccc3F)ncc2C1
InChIInChI=1S/C19H19FN4S/c1-13-7-9-25-18(13)12-24-8-6-16-14(11-24)10-21-19(22-16)23-17-5-3-2-4-15(17)20/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,21,22,23)
InChIKeyVWWLCQBCCNUOJQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.29
Rot. Bonds4

About N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 46345968) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID46345968
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC NameN-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCc1ccsc1CN1CCc2nc(Nc3ccccc3F)ncc2C1
InChIInChI=1S/C19H19FN4S/c1-13-7-9-25-18(13)12-24-8-6-16-14(11-24)10-21-19(22-16)23-17-5-3-2-4-15(17)20/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,21,22,23)
InChIKeyVWWLCQBCCNUOJQ-UHFFFAOYSA-N
XLogP4.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 46345968) is N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Cc1ccsc1CN1CCc2nc(Nc3ccccc3F)ncc2C1.
What is the InChIKey of N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is VWWLCQBCCNUOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c1-13-7-9-25-18(13)12-24-8-6-16-14(11-24)10-21-19(22-16)23-17-5-3-2-4-15(17)20/h2-5,7,9-10H,6,8,11-12H2,1H3,(H,21,22,23).
What are the key properties of N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 354.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-[(3-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46345968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).