6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C13H24N4O4 — CID 107389812

IUPAC6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOC(CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O)OC
InChIInChI=1S/C13H24N4O4/c1-8(2)7-17-11(14)10(12(18)16(3)13(17)19)15-6-9(20-4)21-5/h8-9,15H,6-7,14H2,1-5H3
InChIKeyCYCKXOUDIPBMFW-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.18
Rot. Bonds7

About 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 107389812) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID107389812
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOC(CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O)OC
InChIInChI=1S/C13H24N4O4/c1-8(2)7-17-11(14)10(12(18)16(3)13(17)19)15-6-9(20-4)21-5/h8-9,15H,6-7,14H2,1-5H3
InChIKeyCYCKXOUDIPBMFW-UHFFFAOYSA-N
XLogP-0.18
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115622855
6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 63239465
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115594966
6-amino-3-methyl-5-[(1-methylcyclobutyl)methylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 103736927
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60919996
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368695
6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 61360583
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
CID 103704326
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 107389812) is 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is COC(CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O)OC.
What is the InChIKey of 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is CYCKXOUDIPBMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-8(2)7-17-11(14)10(12(18)16(3)13(17)19)15-6-9(20-4)21-5/h8-9,15H,6-7,14H2,1-5H3.
What are the key properties of 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 107389812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).