6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

C13H22N4O2 — CID 39100598

IUPAC6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(CN2CCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-11(14)10(12(18)16(2)13(15)19)9-17-7-5-3-4-6-8-17/h3-9,14H2,1-2H3
InChIKeyLYGFXXDUCKMTOM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.04
Rot. Bonds2

About 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 39100598) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID39100598
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(CN2CCCCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-11(14)10(12(18)16(2)13(15)19)9-17-7-5-3-4-6-8-17/h3-9,14H2,1-2H3
InChIKeyLYGFXXDUCKMTOM-UHFFFAOYSA-N
XLogP0.04
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-(2-aminopropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 170890934
6-amino-1-methyl-5-(morpholin-4-ylmethyl)-3-pentylpyrimidine-2,4-dione
CID 136590527
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315
1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione
CID 110175958
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 20866981
2,4,6-tris(piperidin-1-ylmethyl)benzene-1,3-diamine
CID 139658951
6-amino-3-methyl-5-(piperidin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 115279386
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500
tert-butyl N-[3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxopropyl]carbamate
CID 158183140
6-[2-(azepan-1-yl)ethyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 16812231
1,3,7-trimethyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)purine-2,6-dione
CID 145163487

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 39100598) is 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(CN2CCCCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LYGFXXDUCKMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-11(14)10(12(18)16(2)13(15)19)9-17-7-5-3-4-6-8-17/h3-9,14H2,1-2H3.
What are the key properties of 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(azepan-1-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 39100598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).