2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H16FN3OS — CID 106472183

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2F)nc2c1COCC2
InChIInChI=1S/C15H16FN3OS/c1-17-15-10-8-20-7-6-12(10)18-14(19-15)9-21-13-5-3-2-4-11(13)16/h2-5H,6-9H2,1H3,(H,17,18,19)
InChIKeyLTIKEJTWLZTRGD-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472183) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472183
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2F)nc2c1COCC2
InChIInChI=1S/C15H16FN3OS/c1-17-15-10-8-20-7-6-12(10)18-14(19-15)9-21-13-5-3-2-4-11(13)16/h2-5H,6-9H2,1H3,(H,17,18,19)
InChIKeyLTIKEJTWLZTRGD-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472306
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
2-[(2-fluorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66053879
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
CID 66301835
N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472106
2-[4-(difluoromethyl)phenyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472817
3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66083854
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
4,6-dichloro-5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidine
CID 80550431
2-[(2-fluorophenyl)sulfanylmethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189973

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472183) is 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(CSc2ccccc2F)nc2c1COCC2.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is LTIKEJTWLZTRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-17-15-10-8-20-7-6-12(10)18-14(19-15)9-21-13-5-3-2-4-11(13)16/h2-5H,6-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).