N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine

C13H16N4S — CID 106972962

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCCc1cccnc1CNc1cc(SC)ncn1
InChIInChI=1S/C13H16N4S/c1-3-10-5-4-6-14-11(10)8-15-12-7-13(18-2)17-9-16-12/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyLXKBBNJMKXAEBF-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.77
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine

N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972962) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972962
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCCc1cccnc1CNc1cc(SC)ncn1
InChIInChI=1S/C13H16N4S/c1-3-10-5-4-6-14-11(10)8-15-12-7-13(18-2)17-9-16-12/h4-7,9H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyLXKBBNJMKXAEBF-UHFFFAOYSA-N
XLogP2.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102
2,3-diethylpyridine
CID 14747123
6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106972702
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 82746668
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]phenol
CID 106973079
N-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 82739931
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
N-[(3-ethyl-2-pyridinyl)methyl]-2-methylpyridin-4-amine
CID 113482648
6-fluoro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115416985
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 82751429

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine (CID 106972962) is N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine is CCc1cccnc1CNc1cc(SC)ncn1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is LXKBBNJMKXAEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-3-10-5-4-6-14-11(10)8-15-12-7-13(18-2)17-9-16-12/h4-7,9H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 260.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).