2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide

C19H25N5O2S — CID 24578468

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
SMILESCc1cc(N)nc(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C19H25N5O2S/c1-14-9-17(20)23-19(22-14)27-13-18(25)21-10-16-12-24(7-8-26-16)11-15-5-3-2-4-6-15/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,25)(H2,20,22,23)
InChIKeyBEHUMPNAFFOKLY-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.48
Rot. Bonds7

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide (PubChem CID 24578468) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
PubChem CID24578468
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
SMILESCc1cc(N)nc(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)n1
InChIInChI=1S/C19H25N5O2S/c1-14-9-17(20)23-19(22-14)27-13-18(25)21-10-16-12-24(7-8-26-16)11-15-5-3-2-4-6-15/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,25)(H2,20,22,23)
InChIKeyBEHUMPNAFFOKLY-UHFFFAOYSA-N
XLogP1.48
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]acetamide
CID 8006468
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylacetamide
CID 67169609
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 98684224
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 30035436
N-[(4-benzylmorpholin-2-yl)methyl]-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24576229
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 25495540
2-[[5-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 24576237
N-[(4-benzylmorpholin-2-yl)methyl]-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24580305
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
CID 59866910
CID 59866910

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide (CID 24578468) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide is Cc1cc(N)nc(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide?
The InChIKey is BEHUMPNAFFOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-9-17(20)23-19(22-14)27-13-18(25)21-10-16-12-24(7-8-26-16)11-15-5-3-2-4-6-15/h2-6,9,16H,7-8,10-13H2,1H3,(H,21,25)(H2,20,22,23).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 24578468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).