2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine

C14H19N5S — CID 154604207

IUPAC2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCSc1cnc(NCC(C)CNc2ccccn2)nc1
InChIInChI=1S/C14H19N5S/c1-11(7-16-13-5-3-4-6-15-13)8-17-14-18-9-12(20-2)10-19-14/h3-6,9-11H,7-8H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyDTGAUVNFRDLAGJ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.75
Rot. Bonds7

About 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine

2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine (PubChem CID 154604207) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine
PubChem CID154604207
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCSc1cnc(NCC(C)CNc2ccccn2)nc1
InChIInChI=1S/C14H19N5S/c1-11(7-16-13-5-3-4-6-15-13)8-17-14-18-9-12(20-2)10-19-14/h3-6,9-11H,7-8H2,1-2H3,(H,15,16)(H,17,18,19)
InChIKeyDTGAUVNFRDLAGJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-pyrrol-1-yl-2-pyridinyl)propane-1,3-diamine
CID 159246276
2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridazin-3-one
CID 154653601
N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine
CID 164968196
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
trans-(1S,2S)-N,N-dimethyl-2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]cyclopropane-1-carboxamide
CID 154653987
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]pyridin-2-amine
CID 86805423
N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine
CID 130653655
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217
2-methyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116974512
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine (CID 154604207) is 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine is CSc1cnc(NCC(C)CNc2ccccn2)nc1.
What is the InChIKey of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is DTGAUVNFRDLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11(7-16-13-5-3-4-6-15-13)8-17-14-18-9-12(20-2)10-19-14/h3-6,9-11H,7-8H2,1-2H3,(H,15,16)(H,17,18,19).
What are the key properties of 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine has a molecular weight of 289.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 154604207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).