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

C16H18ClN3OS — CID 142062376

IUPACN-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCSc1nc2c(c(NCCc3ccccc3Cl)n1)COCC2
InChIInChI=1S/C16H18ClN3OS/c1-22-16-19-14-7-9-21-10-12(14)15(20-16)18-8-6-11-4-2-3-5-13(11)17/h2-5H,6-10H2,1H3,(H,18,19,20)
InChIKeyOQSYMKRUSGSJBW-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.58
Rot. Bonds5

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

N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 142062376) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID142062376
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCSc1nc2c(c(NCCc3ccccc3Cl)n1)COCC2
InChIInChI=1S/C16H18ClN3OS/c1-22-16-19-14-7-9-21-10-12(14)15(20-16)18-8-6-11-4-2-3-5-13(11)17/h2-5H,6-10H2,1H3,(H,18,19,20)
InChIKeyOQSYMKRUSGSJBW-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472397
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339
N-[2-(2-chlorophenyl)ethyl]-2-ethylsulfonyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 70084158
2-(3-chlorophenyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472544
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
3-chloro-2-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 106474844
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
2-methylsulfanyl-4-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83856383
N-[2-(2,6-dichlorophenyl)ethyl]-2-ethylsulfanyl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
CID 142062215
N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472423
2-(5-chloro-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472466

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 142062376) is N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CSc1nc2c(c(NCCc3ccccc3Cl)n1)COCC2.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is OQSYMKRUSGSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-22-16-19-14-7-9-21-10-12(14)15(20-16)18-8-6-11-4-2-3-5-13(11)17/h2-5H,6-10H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 335.86 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142062376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).