2-amino-3-pyrimidin-4-ylsulfanylpropanamide

C7H10N4OS — CID 63695895

IUPAC2-amino-3-pyrimidin-4-ylsulfanylpropanamide
SMILESNC(=O)C(N)CSc1ccncn1
InChIInChI=1S/C7H10N4OS/c8-5(7(9)12)3-13-6-1-2-10-4-11-6/h1-2,4-5H,3,8H2,(H2,9,12)
InChIKeyRWABMIXOEIKOIK-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.62
Rot. Bonds4

About 2-amino-3-pyrimidin-4-ylsulfanylpropanamide

2-amino-3-pyrimidin-4-ylsulfanylpropanamide (PubChem CID 63695895) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-amino-3-pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-3-pyrimidin-4-ylsulfanylpropanamide
PubChem CID63695895
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name2-amino-3-pyrimidin-4-ylsulfanylpropanamide
SMILESNC(=O)C(N)CSc1ccncn1
InChIInChI=1S/C7H10N4OS/c8-5(7(9)12)3-13-6-1-2-10-4-11-6/h1-2,4-5H,3,8H2,(H2,9,12)
InChIKeyRWABMIXOEIKOIK-UHFFFAOYSA-N
XLogP-0.62
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
CID 63696968
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552
methyl 2-(propan-2-ylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63695897
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
CID 77017384
2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63696076
2-amino-3-(4-methylpyrimidin-2-yl)sulfanylpropanamide
CID 62269830
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64808416
1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628452
1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645
4-pyrimidin-4-ylsulfanylbutan-1-amine
CID 63698533

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of 2-amino-3-pyrimidin-4-ylsulfanylpropanamide (CID 63695895) is 2-amino-3-pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for 2-amino-3-pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for 2-amino-3-pyrimidin-4-ylsulfanylpropanamide is NC(=O)C(N)CSc1ccncn1.
What is the InChIKey of 2-amino-3-pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is RWABMIXOEIKOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-5(7(9)12)3-13-6-1-2-10-4-11-6/h1-2,4-5H,3,8H2,(H2,9,12).
What are the key properties of 2-amino-3-pyrimidin-4-ylsulfanylpropanamide?
2-amino-3-pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 198.25 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 63695895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).