(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

C16H23N5O2S — CID 137098597

IUPAC(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2cc(C(C)(C)C)n[nH]2)n1
InChIInChI=1S/C16H23N5O2S/c1-9-6-13(22)19-15(18-9)24-10(2)14(23)17-8-11-7-12(21-20-11)16(3,4)5/h6-7,10H,8H2,1-5H3,(H,17,23)(H,20,21)(H,18,19,22)/t10-/m1/s1
InChIKeyNLYWPEWSTPDSQL-SNVBAGLBSA-N
MW349.46 g/mol
LogP1.90
Rot. Bonds5

About (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide

(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 137098597) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID137098597
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2cc(C(C)(C)C)n[nH]2)n1
InChIInChI=1S/C16H23N5O2S/c1-9-6-13(22)19-15(18-9)24-10(2)14(23)17-8-11-7-12(21-20-11)16(3,4)5/h6-7,10H,8H2,1-5H3,(H,17,23)(H,20,21)(H,18,19,22)/t10-/m1/s1
InChIKeyNLYWPEWSTPDSQL-SNVBAGLBSA-N
XLogP1.90
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 136607679
N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136662359
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
2-[1-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135798646
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
N-(2,5-difluorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685867
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
(2S)-N-[3-(4-chloropyrazol-1-yl)propyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136711858
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 136857791
N-(4-acetylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135410556
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 136685856
(2R)-N-(4-acetylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135783764

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 137098597) is (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1cc(=O)[nH]c(S[C@H](C)C(=O)NCc2cc(C(C)(C)C)n[nH]2)n1.
What is the InChIKey of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is NLYWPEWSTPDSQL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-9-6-13(22)19-15(18-9)24-10(2)14(23)17-8-11-7-12(21-20-11)16(3,4)5/h6-7,10H,8H2,1-5H3,(H,17,23)(H,20,21)(H,18,19,22)/t10-/m1/s1.
What are the key properties of (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 349.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 137098597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).