2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide

C17H28N6O2 — CID 136663612

IUPAC2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1CCN(c2cc(=O)[nH]c(N)n2)CC1)C1CCCCC1
InChIInChI=1S/C17H28N6O2/c1-21(13-5-3-2-4-6-13)16(25)12-22-7-9-23(10-8-22)14-11-15(24)20-17(18)19-14/h11,13H,2-10,12H2,1H3,(H3,18,19,20,24)
InChIKeyDDEDWYXDCIUZSB-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 136663612) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID136663612
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1CCN(c2cc(=O)[nH]c(N)n2)CC1)C1CCCCC1
InChIInChI=1S/C17H28N6O2/c1-21(13-5-3-2-4-6-13)16(25)12-22-7-9-23(10-8-22)14-11-15(24)20-17(18)19-14/h11,13H,2-10,12H2,1H3,(H3,18,19,20,24)
InChIKeyDDEDWYXDCIUZSB-UHFFFAOYSA-N
XLogP0.27
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide (CID 136663612) is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CN1CCN(c2cc(=O)[nH]c(N)n2)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is DDEDWYXDCIUZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-21(13-5-3-2-4-6-13)16(25)12-22-7-9-23(10-8-22)14-11-15(24)20-17(18)19-14/h11,13H,2-10,12H2,1H3,(H3,18,19,20,24).
What are the key properties of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 348.45 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 136663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).