6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione

C13H22N4O4 — CID 114952196

IUPAC6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CC2(O)CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O4/c1-3-17-10(14)9(11(18)15-12(17)19)16(2)8-13(20)4-6-21-7-5-13/h20H,3-8,14H2,1-2H3,(H,15,18,19)
InChIKeyXGRBCVJMZKVPLD-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.88
Rot. Bonds4

About 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione (PubChem CID 114952196) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
PubChem CID114952196
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N(C)CC2(O)CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O4/c1-3-17-10(14)9(11(18)15-12(17)19)16(2)8-13(20)4-6-21-7-5-13/h20H,3-8,14H2,1-2H3,(H,15,18,19)
InChIKeyXGRBCVJMZKVPLD-UHFFFAOYSA-N
XLogP-0.88
TPSA113.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-ethyl-5-[4-hydroxybutyl(methyl)amino]pyrimidine-2,4-dione
CID 110931812
6-amino-5-[(3-hydroxyoxolan-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103847814
6-amino-1-ethyl-5-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]pyrimidine-2,4-dione
CID 110923166
5-amino-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136999433
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[(4,6-diamino-3-chloro-2-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 103553535
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-1-ethyl-5-[(1-methylcyclobutyl)amino]pyrimidine-2,4-dione
CID 115765441
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
4-[[4-(aminomethyl)-2,6-difluoro-N-methylanilino]methyl]oxan-4-ol
CID 114947947
4-[(3-amino-N,2-dimethylanilino)methyl]oxan-4-ol
CID 114947739
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387278

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione (CID 114952196) is 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione is CCn1c(N)c(N(C)CC2(O)CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is XGRBCVJMZKVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-3-17-10(14)9(11(18)15-12(17)19)16(2)8-13(20)4-6-21-7-5-13/h20H,3-8,14H2,1-2H3,(H,15,18,19).
What are the key properties of 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 298.34 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 114952196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).