(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide

C14H13N5OS — CID 865204

IUPAC(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SMILESC[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H13N5OS/c1-9(13(20)18-11-5-3-2-4-6-11)21-14-17-8-10(7-15)12(16)19-14/h2-6,8-9H,1H3,(H,18,20)(H2,16,17,19)/t9-/m1/s1
InChIKeyMBLVCNOEBHFLLS-SECBINFHSA-N
MW299.36 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide

(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide (PubChem CID 865204) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
PubChem CID865204
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
SMILESC[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H13N5OS/c1-9(13(20)18-11-5-3-2-4-6-11)21-14-17-8-10(7-15)12(16)19-14/h2-6,8-9H,1H3,(H,18,20)(H2,16,17,19)/t9-/m1/s1
InChIKeyMBLVCNOEBHFLLS-SECBINFHSA-N
XLogP2.05
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 46629914
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 863594
methyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoate
CID 43022442
ethyl 4-amino-2-[(2R)-1-anilino-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 865445
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 40789608
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 17435985
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide
CID 106678736
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
CID 43028551
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
CID 43028554
(2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8940726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide (CID 865204) is (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide is C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is MBLVCNOEBHFLLS-SECBINFHSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9(13(20)18-11-5-3-2-4-6-11)21-14-17-8-10(7-15)12(16)19-14/h2-6,8-9H,1H3,(H,18,20)(H2,16,17,19)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide?
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 299.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 865204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).