(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide

C9H14N6OS — CID 7415791

IUPAC(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc(N)nc(N)n1)C(=O)NC1CC1
InChIInChI=1S/C9H14N6OS/c1-4(6(16)12-5-2-3-5)17-9-14-7(10)13-8(11)15-9/h4-5H,2-3H2,1H3,(H,12,16)(H4,10,11,13,14,15)/t4-/m1/s1
InChIKeyXOKDBXQHIYAFDW-SCSAIBSYSA-N
MW254.32 g/mol
LogP-0.20
Rot. Bonds4

About (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide

(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide (PubChem CID 7415791) has the molecular formula C9H14N6OS and a molecular weight of 254.32 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
PubChem CID7415791
Molecular FormulaC9H14N6OS
Molecular Weight254.32 g/mol
Exact Mass254.09
IUPAC Name(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc(N)nc(N)n1)C(=O)NC1CC1
InChIInChI=1S/C9H14N6OS/c1-4(6(16)12-5-2-3-5)17-9-14-7(10)13-8(11)15-9/h4-5H,2-3H2,1H3,(H,12,16)(H4,10,11,13,14,15)/t4-/m1/s1
InChIKeyXOKDBXQHIYAFDW-SCSAIBSYSA-N
XLogP-0.20
TPSA119.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide with MolForge

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Related Compounds

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide
CID 43212635
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 7415780
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 8985929
N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 17485885
(2R)-N-cyclopentyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 41012744
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8985952
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774
N-cyclopropyl-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 4605105

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide (CID 7415791) is (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nc(N)nc(N)n1)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
The InChIKey is XOKDBXQHIYAFDW-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H14N6OS/c1-4(6(16)12-5-2-3-5)17-9-14-7(10)13-8(11)15-9/h4-5H,2-3H2,1H3,(H,12,16)(H4,10,11,13,14,15)/t4-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide?
(2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide has a molecular weight of 254.32 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7415791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).