(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

C14H15N5OS2 — CID 40789608

IUPAC(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCc1cccs1
InChIInChI=1S/C14H15N5OS2/c1-9(13(20)17-5-4-11-3-2-6-21-11)22-14-18-8-10(7-15)12(16)19-14/h2-3,6,8-9H,4-5H2,1H3,(H,17,20)(H2,16,18,19)/t9-/m1/s1
InChIKeyYRRZEQMDZMKBDC-SECBINFHSA-N
MW333.44 g/mol
LogP1.83
Rot. Bonds6

About (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 40789608) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID40789608
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCc1cccs1
InChIInChI=1S/C14H15N5OS2/c1-9(13(20)17-5-4-11-3-2-6-21-11)22-14-18-8-10(7-15)12(16)19-14/h2-3,6,8-9H,4-5H2,1H3,(H,17,20)(H2,16,18,19)/t9-/m1/s1
InChIKeyYRRZEQMDZMKBDC-SECBINFHSA-N
XLogP1.83
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 17435985
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 865204
methyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoate
CID 43022442
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
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
(2R)-2-[(4-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 125142463
4-amino-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyrimidine-5-carbonitrile
CID 43028554
(2R)-2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 41236618
4-amino-2-butan-2-ylsulfanylpyrimidine-5-carbonitrile
CID 130650777
5-chloro-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459215
N-(3-cyanothiophen-2-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 16576932

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (CID 40789608) is (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NCCc1cccs1.
What is the InChIKey of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is YRRZEQMDZMKBDC-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-9(13(20)17-5-4-11-3-2-6-21-11)22-14-18-8-10(7-15)12(16)19-14/h2-3,6,8-9H,4-5H2,1H3,(H,17,20)(H2,16,18,19)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 333.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 40789608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).