N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide

C10H15N5OS — CID 62627578

IUPACN-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
SMILESNc1cc(N)nc(SCCC(=O)NC2CC2)n1
InChIInChI=1S/C10H15N5OS/c11-7-5-8(12)15-10(14-7)17-4-3-9(16)13-6-1-2-6/h5-6H,1-4H2,(H,13,16)(H4,11,12,14,15)
InChIKeyJNEJMKNJGPDAHP-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.40
Rot. Bonds5

About N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide

N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide (PubChem CID 62627578) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
PubChem CID62627578
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
SMILESNc1cc(N)nc(SCCC(=O)NC2CC2)n1
InChIInChI=1S/C10H15N5OS/c11-7-5-8(12)15-10(14-7)17-4-3-9(16)13-6-1-2-6/h5-6H,1-4H2,(H,13,16)(H4,11,12,14,15)
InChIKeyJNEJMKNJGPDAHP-UHFFFAOYSA-N
XLogP0.40
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoic acid
CID 549214
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 39049006
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43213339
ethyl 4-amino-2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate
CID 115330608
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-methylpropanamide
CID 115331106
3-(4-amino-2-bromophenyl)sulfanyl-N-cyclopropylpropanamide
CID 82841438
3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 55098398
hydrazinyl 3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoate
CID 66337524
3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 79147919
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 18130863
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80820565

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide (CID 62627578) is N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide is Nc1cc(N)nc(SCCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is JNEJMKNJGPDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c11-7-5-8(12)15-10(14-7)17-4-3-9(16)13-6-1-2-6/h5-6H,1-4H2,(H,13,16)(H4,11,12,14,15).
What are the key properties of N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide?
N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 253.33 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 62627578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).