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

C16H19N3OS — CID 106472306

IUPACN-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2C)nc2c1COCC2
InChIInChI=1S/C16H19N3OS/c1-11-5-3-4-6-14(11)21-10-15-18-13-7-8-20-9-12(13)16(17-2)19-15/h3-6H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyQMLOXXHNOJVBGY-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.19
Rot. Bonds4

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

N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472306) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472306
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2ccccc2C)nc2c1COCC2
InChIInChI=1S/C16H19N3OS/c1-11-5-3-4-6-14(11)21-10-15-18-13-7-8-20-9-12(13)16(17-2)19-15/h3-6H,7-10H2,1-2H3,(H,17,18,19)
InChIKeyQMLOXXHNOJVBGY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472183
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
N-methyl-2-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472106
N-methyl-2-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472271
5-iodo-6-(methoxymethyl)-N-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302205
N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486165
2-[(2-chlorophenyl)methyl]-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472397
2-[4-(difluoromethyl)phenyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472817
1-[4,6-dimethyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-5-yl]-N-methylmethanamine
CID 66096153
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66148327
[2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473494

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472306) is N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CNc1nc(CSc2ccccc2C)nc2c1COCC2.
What is the InChIKey of N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is QMLOXXHNOJVBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-5-3-4-6-14(11)21-10-15-18-13-7-8-20-9-12(13)16(17-2)19-15/h3-6H,7-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 301.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).