2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide

C10H14N4OS — CID 63696968

IUPAC2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
SMILESNC(=O)C(CSc1ccncn1)NC1CC1
InChIInChI=1S/C10H14N4OS/c11-10(15)8(14-7-1-2-7)5-16-9-3-4-12-6-13-9/h3-4,6-8,14H,1-2,5H2,(H2,11,15)
InChIKeyLZWVSLAMCFVBMU-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.17
Rot. Bonds6

About 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide

2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide (PubChem CID 63696968) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
PubChem CID63696968
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide
SMILESNC(=O)C(CSc1ccncn1)NC1CC1
InChIInChI=1S/C10H14N4OS/c11-10(15)8(14-7-1-2-7)5-16-9-3-4-12-6-13-9/h3-4,6-8,14H,1-2,5H2,(H2,11,15)
InChIKeyLZWVSLAMCFVBMU-UHFFFAOYSA-N
XLogP0.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
2-amino-3-pyrimidin-4-ylsulfanylpropanamide
CID 63695895
2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
CID 63033420
2-(methylamino)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63696076
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552
methyl 2-(propan-2-ylamino)-3-pyrimidin-4-ylsulfanylpropanoate
CID 63695897
N'-hydroxy-2-methyl-3-pyrimidin-4-ylsulfanylpropanimidamide
CID 77017384
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
CID 104755698
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
ethyl 2-(cyclopropylamino)-2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 55227872
ethyl 2-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104603828

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide (CID 63696968) is 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide is NC(=O)C(CSc1ccncn1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide?
The InChIKey is LZWVSLAMCFVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c11-10(15)8(14-7-1-2-7)5-16-9-3-4-12-6-13-9/h3-4,6-8,14H,1-2,5H2,(H2,11,15).
What are the key properties of 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide?
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide has a molecular weight of 238.32 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanamide is sourced from PubChem (CID 63696968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).