ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine

C15H21N3S — CID 143029279

IUPACethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine
SMILESCC.CSc1ccc(CNc2ccnc(C)n2)cc1
InChIInChI=1S/C13H15N3S.C2H6/c1-10-14-8-7-13(16-10)15-9-11-3-5-12(17-2)6-4-11;1-2/h3-8H,9H2,1-2H3,(H,14,15,16);1-2H3
InChIKeyOJDCJRQGIBBJFR-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.15
Rot. Bonds4

About ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine

ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine (PubChem CID 143029279) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine
PubChem CID143029279
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Nameethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine
SMILESCC.CSc1ccc(CNc2ccnc(C)n2)cc1
InChIInChI=1S/C13H15N3S.C2H6/c1-10-14-8-7-13(16-10)15-9-11-3-5-12(17-2)6-4-11;1-2/h3-8H,9H2,1-2H3,(H,14,15,16);1-2H3
InChIKeyOJDCJRQGIBBJFR-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-2-methylpyrimidin-4-amine
CID 115657207
2-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 62784731
6-N-methyl-4-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-4,6-diamine
CID 115265512
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
2-methyl-N-phosphanylpyrimidin-4-amine
CID 59105384
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
2-methyl-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 55112812
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
CID 155819299
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 62784735

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine (CID 143029279) is ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine is CC.CSc1ccc(CNc2ccnc(C)n2)cc1.
What is the InChIKey of ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is OJDCJRQGIBBJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.C2H6/c1-10-14-8-7-13(16-10)15-9-11-3-5-12(17-2)6-4-11;1-2/h3-8H,9H2,1-2H3,(H,14,15,16);1-2H3.
What are the key properties of ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine?
ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 143029279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).