N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C16H19N3OS — CID 106472694

IUPACN-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(SC)cc2)nc2c1COCC2
InChIInChI=1S/C16H19N3OS/c1-3-17-16-13-10-20-9-8-14(13)18-15(19-16)11-4-6-12(21-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyQIKNRLFBSKZDNZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.37
Rot. Bonds4

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

N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472694) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472694
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(SC)cc2)nc2c1COCC2
InChIInChI=1S/C16H19N3OS/c1-3-17-16-13-10-20-9-8-14(13)18-15(19-16)11-4-6-12(21-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,18,19)
InChIKeyQIKNRLFBSKZDNZ-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
3-[4-(ethylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-5-fluorophenol
CID 106472699
N-ethyl-2-[(4-fluorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472394
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472372
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
N-ethyl-2-pyrazin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472494
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466
N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472423

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472694) is N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccc(SC)cc2)nc2c1COCC2.
What is the InChIKey of N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is QIKNRLFBSKZDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-17-16-13-10-20-9-8-14(13)18-15(19-16)11-4-6-12(21-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 301.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).