2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

C14H18N4S — CID 65039017

IUPAC2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1nc(SC(CN)c2cccnc2)nc(C)c1C
InChIInChI=1S/C14H18N4S/c1-9-10(2)17-14(18-11(9)3)19-13(7-15)12-5-4-6-16-8-12/h4-6,8,13H,7,15H2,1-3H3
InChIKeyFOSVSCWDPNSHKS-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.59
Rot. Bonds4

About 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine

2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 65039017) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
PubChem CID65039017
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1nc(SC(CN)c2cccnc2)nc(C)c1C
InChIInChI=1S/C14H18N4S/c1-9-10(2)17-14(18-11(9)3)19-13(7-15)12-5-4-6-16-8-12/h4-6,8,13H,7,15H2,1-3H3
InChIKeyFOSVSCWDPNSHKS-UHFFFAOYSA-N
XLogP2.59
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65038510
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
1-phenyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 65041016
3-(2-amino-1-pyridin-3-ylethyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62884607
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine (CID 65039017) is 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is Cc1nc(SC(CN)c2cccnc2)nc(C)c1C.
What is the InChIKey of 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is FOSVSCWDPNSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-10(2)17-14(18-11(9)3)19-13(7-15)12-5-4-6-16-8-12/h4-6,8,13H,7,15H2,1-3H3.
What are the key properties of 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine?
2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 65039017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).