N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide

C13H18N4O3S — CID 125163832

IUPACN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)cn1
InChIInChI=1S/C13H18N4O3S/c1-9(18)17-3-4-20-11(8-17)7-14-12(19)10-5-15-13(21-2)16-6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,19)/t11-/m1/s1
InChIKeyZLWPZLUYDCSYEZ-LLVKDONJSA-N
MW310.38 g/mol
LogP0.18
Rot. Bonds4

About N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 125163832) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID125163832
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)cn1
InChIInChI=1S/C13H18N4O3S/c1-9(18)17-3-4-20-11(8-17)7-14-12(19)10-5-15-13(21-2)16-6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,19)/t11-/m1/s1
InChIKeyZLWPZLUYDCSYEZ-LLVKDONJSA-N
XLogP0.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
CID 126423943
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 56758878
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 56714322
N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 56750091
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 125435518
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
CID 125174342

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 125163832) is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC[C@@H]2CN(C(C)=O)CCO2)cn1.
What is the InChIKey of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is ZLWPZLUYDCSYEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(18)17-3-4-20-11(8-17)7-14-12(19)10-5-15-13(21-2)16-6-10/h5-6,11H,3-4,7-8H2,1-2H3,(H,14,19)/t11-/m1/s1.
What are the key properties of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 125163832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).