2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C20H33N5O4 — CID 9355235

IUPAC2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1=O
InChIInChI=1S/C20H33N5O4/c1-3-8-24-18(21)17(23-9-11-29-12-10-23)19(27)25(20(24)28)13-16(26)22-15-7-5-4-6-14(15)2/h14-15H,3-13,21H2,1-2H3,(H,22,26)/t14-,15+/m0/s1
InChIKeyHOZXIFACMDCJSN-LSDHHAIUSA-N
MW407.52 g/mol
LogP0.53
Rot. Bonds6

About 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 9355235) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID9355235
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1=O
InChIInChI=1S/C20H33N5O4/c1-3-8-24-18(21)17(23-9-11-29-12-10-23)19(27)25(20(24)28)13-16(26)22-15-7-5-4-6-14(15)2/h14-15H,3-13,21H2,1-2H3,(H,22,26)/t14-,15+/m0/s1
InChIKeyHOZXIFACMDCJSN-LSDHHAIUSA-N
XLogP0.53
TPSA111.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 9355235) is 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is CCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c1=O.
What is the InChIKey of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is HOZXIFACMDCJSN-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-3-8-24-18(21)17(23-9-11-29-12-10-23)19(27)25(20(24)28)13-16(26)22-15-7-5-4-6-14(15)2/h14-15H,3-13,21H2,1-2H3,(H,22,26)/t14-,15+/m0/s1.
What are the key properties of 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9355235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).