(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide

C17H24N4O2S — CID 94816743

IUPAC(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCCN(CC)[C@@H](CNC(=O)[C@@H](C)Sc1ncccn1)c1ccco1
InChIInChI=1S/C17H24N4O2S/c1-4-21(5-2)14(15-8-6-11-23-15)12-20-16(22)13(3)24-17-18-9-7-10-19-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,22)/t13-,14+/m1/s1
InChIKeyLEUIXFMLFTXPBU-KGLIPLIRSA-N
MW348.47 g/mol
LogP2.75
Rot. Bonds9

About (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide

(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 94816743) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID94816743
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCCN(CC)[C@@H](CNC(=O)[C@@H](C)Sc1ncccn1)c1ccco1
InChIInChI=1S/C17H24N4O2S/c1-4-21(5-2)14(15-8-6-11-23-15)12-20-16(22)13(3)24-17-18-9-7-10-19-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,22)/t13-,14+/m1/s1
InChIKeyLEUIXFMLFTXPBU-KGLIPLIRSA-N
XLogP2.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 94814627
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94812595
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967645
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 51174996
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 42985063
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977065
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide (CID 94816743) is (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide is CCN(CC)[C@@H](CNC(=O)[C@@H](C)Sc1ncccn1)c1ccco1.
What is the InChIKey of (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is LEUIXFMLFTXPBU-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-21(5-2)14(15-8-6-11-23-15)12-20-16(22)13(3)24-17-18-9-7-10-19-17/h6-11,13-14H,4-5,12H2,1-3H3,(H,20,22)/t13-,14+/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide?
(2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 348.47 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 94816743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).