5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C13H20N4O3 — CID 62160317

IUPAC5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC2COCCO2)n1
InChIInChI=1S/C13H20N4O3/c1-8(2)12-15-6-10(14)11(17-12)13(18)16-5-9-7-19-3-4-20-9/h6,8-9H,3-5,7,14H2,1-2H3,(H,16,18)
InChIKeyHSVUTZSSNPUJDW-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.33
Rot. Bonds4

About 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62160317) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62160317
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC2COCCO2)n1
InChIInChI=1S/C13H20N4O3/c1-8(2)12-15-6-10(14)11(17-12)13(18)16-5-9-7-19-3-4-20-9/h6,8-9H,3-5,7,14H2,1-2H3,(H,16,18)
InChIKeyHSVUTZSSNPUJDW-UHFFFAOYSA-N
XLogP0.33
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388723
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054
N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-methoxypyrimidine-2-carboxamide
CID 164640711
N-(1,4-dioxan-2-ylmethyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374710
5-amino-2-propan-2-yl-N-(2-sulfamoylethyl)pyrimidine-4-carboxamide
CID 62155667
5-amino-N-(1-methylsulfonylpropan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64643270
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-ethoxybenzamide
CID 81420849
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
5-amino-2-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4-carboxamide
CID 62186515
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62160317) is 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCC2COCCO2)n1.
What is the InChIKey of 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HSVUTZSSNPUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(2)12-15-6-10(14)11(17-12)13(18)16-5-9-7-19-3-4-20-9/h6,8-9H,3-5,7,14H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,4-dioxan-2-ylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62160317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).