N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine

C10H16N4S — CID 164968196

IUPACN-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine
SMILESC=NC[C@@H](C)CNc1ncc(SC)cn1
InChIInChI=1S/C10H16N4S/c1-8(4-11-2)5-12-10-13-6-9(15-3)7-14-10/h6-8H,2,4-5H2,1,3H3,(H,12,13,14)/t8-/m1/s1
InChIKeyCTJPISNVHNLVEP-MRVPVSSYSA-N
MW224.33 g/mol
LogP1.95
Rot. Bonds6

About N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine

N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine (PubChem CID 164968196) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine
PubChem CID164968196
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC NameN-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine
SMILESC=NC[C@@H](C)CNc1ncc(SC)cn1
InChIInChI=1S/C10H16N4S/c1-8(4-11-2)5-12-10-13-6-9(15-3)7-14-10/h6-8H,2,4-5H2,1,3H3,(H,12,13,14)/t8-/m1/s1
InChIKeyCTJPISNVHNLVEP-MRVPVSSYSA-N
XLogP1.95
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 154604207
(2R)-2-methyl-N-(5-methylsulfanylpyrimidin-2-yl)-N'-(5-pyrrol-1-yl-2-pyridinyl)propane-1,3-diamine
CID 159246276
N-(2-fluoroethyl)-5-methylsulfanylpyrimidin-2-amine
CID 130653655
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217
3-(aminomethyl)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]butanamide
CID 154604187
2-[6-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-3-pyridinyl]pyridazin-3-one
CID 154653601
5-fluoro-2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 154996294
ethane;2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-sulfinamide
CID 154653603
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-methyl-N-[2-[[2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazol-6-yl]methanesulfinamide
CID 155003183
5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115756039
N-(2,3-dimethylbutyl)-5-methylpyrimidin-2-amine
CID 64597150

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine (CID 164968196) is N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine is C=NC[C@@H](C)CNc1ncc(SC)cn1.
What is the InChIKey of N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is CTJPISNVHNLVEP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8(4-11-2)5-12-10-13-6-9(15-3)7-14-10/h6-8H,2,4-5H2,1,3H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine?
N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 224.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-(methylideneamino)propyl]-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 164968196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).