N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C15H17N3S — CID 64626851

IUPACN-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1ccncn1
InChIInChI=1S/C15H17N3S/c1-16-15-12-5-3-2-4-11(12)6-7-13(15)19-14-8-9-17-10-18-14/h2-5,8-10,13,15-16H,6-7H2,1H3
InChIKeyYMKMBYYHUCIFAS-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64626851) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64626851
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Sc1ccncn1
InChIInChI=1S/C15H17N3S/c1-16-15-12-5-3-2-4-11(12)6-7-13(15)19-14-8-9-17-10-18-14/h2-5,8-10,13,15-16H,6-7H2,1H3
InChIKeyYMKMBYYHUCIFAS-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115384124
2-pyrimidin-4-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64628654
2-(2,4-difluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64613079
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628444
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107784280
2-(3-bromophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64632008
N-ethyl-4-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420563
3-pyrimidin-4-ylsulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314484
N-[(1R,2S)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 141199420
N-methyl-2-(oxan-4-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64627349
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927305

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64626851) is N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Sc1ccncn1.
What is the InChIKey of N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YMKMBYYHUCIFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-16-15-12-5-3-2-4-11(12)6-7-13(15)19-14-8-9-17-10-18-14/h2-5,8-10,13,15-16H,6-7H2,1H3.
What are the key properties of N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64626851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).