2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide

C11H14N4OS — CID 47145388

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Sc1nc(C)cc(N)n1
InChIInChI=1S/C11H14N4OS/c1-4-5-13-10(16)8(3)17-11-14-7(2)6-9(12)15-11/h1,6,8H,5H2,2-3H3,(H,13,16)(H2,12,14,15)
InChIKeySXELWVWFCPXASZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.60
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide (PubChem CID 47145388) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
PubChem CID47145388
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Sc1nc(C)cc(N)n1
InChIInChI=1S/C11H14N4OS/c1-4-5-13-10(16)8(3)17-11-14-7(2)6-9(12)15-11/h1,6,8H,5H2,2-3H3,(H,13,16)(H2,12,14,15)
InChIKeySXELWVWFCPXASZ-UHFFFAOYSA-N
XLogP0.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(2S)-butan-2-yl]propanamide
CID 37060825
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)propanamide
CID 51190687
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 41024083
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanehydrazide
CID 63581279
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 38968288
2-(4-amino-2-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43305444
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 40663409
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
ethyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 60589152
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-N-phenylpropanamide
CID 43028754

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide (CID 47145388) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Sc1nc(C)cc(N)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide?
The InChIKey is SXELWVWFCPXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-4-5-13-10(16)8(3)17-11-14-7(2)6-9(12)15-11/h1,6,8H,5H2,2-3H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide has a molecular weight of 250.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 47145388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).