N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide

C18H21N5O3 — CID 126423943

IUPACN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
SMILESCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1
InChIInChI=1S/C18H21N5O3/c1-12(24)23-6-7-26-15(10-23)9-20-18(25)14-4-2-13(3-5-14)16-8-17(19)22-11-21-16/h2-5,8,11,15H,6-7,9-10H2,1H3,(H,20,25)(H2,19,21,22)/t15-/m1/s1
InChIKeyATCPTHHMCJUPNJ-OAHLLOKOSA-N
MW355.40 g/mol
LogP0.70
Rot. Bonds4

About N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide (PubChem CID 126423943) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
PubChem CID126423943
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
SMILESCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1
InChIInChI=1S/C18H21N5O3/c1-12(24)23-6-7-26-15(10-23)9-20-18(25)14-4-2-13(3-5-14)16-8-17(19)22-11-21-16/h2-5,8,11,15H,6-7,9-10H2,1H3,(H,20,25)(H2,19,21,22)/t15-/m1/s1
InChIKeyATCPTHHMCJUPNJ-OAHLLOKOSA-N
XLogP0.70
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
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
4-(6-aminopyrimidin-4-yl)-N-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 126432710
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 56750091
(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933856
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide?
The IUPAC name of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide (CID 126423943) is N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide.
What is the SMILES notation for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide?
The canonical SMILES for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide is CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3cc(N)ncn3)cc2)C1.
What is the InChIKey of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide?
The InChIKey is ATCPTHHMCJUPNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12(24)23-6-7-26-15(10-23)9-20-18(25)14-4-2-13(3-5-14)16-8-17(19)22-11-21-16/h2-5,8,11,15H,6-7,9-10H2,1H3,(H,20,25)(H2,19,21,22)/t15-/m1/s1.
What are the key properties of N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide?
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide has a molecular weight of 355.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide is sourced from PubChem (CID 126423943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).