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

C14H26N4O3 — CID 115622855

IUPAC6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCC(O)CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-5-6-10(19)7-16-11-12(15)18(8-9(2)3)14(21)17(4)13(11)20/h9-10,16,19H,5-8,15H2,1-4H3
InChIKeyDNAPOZVSMHJMSO-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.36
Rot. Bonds7

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

6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 115622855) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID115622855
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCC(O)CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C14H26N4O3/c1-5-6-10(19)7-16-11-12(15)18(8-9(2)3)14(21)17(4)13(11)20/h9-10,16,19H,5-8,15H2,1-4H3
InChIKeyDNAPOZVSMHJMSO-UHFFFAOYSA-N
XLogP0.36
TPSA102.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 63239465
6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 107389812
6-amino-5-(2-bromoprop-2-enylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115594966
6-amino-1-butyl-5-[(3-hydroxy-2-methylpropyl)amino]-3-methylpyrimidine-2,4-dione
CID 61362996
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
6-amino-5-(2-methoxypropylamino)-3-methyl-1-propylpyrimidine-2,4-dione
CID 102699140
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 61360583
6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368695
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 106158493
N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
CID 94065195

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 115622855) is 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CCCC(O)CNc1c(N)n(CC(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is DNAPOZVSMHJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-6-10(19)7-16-11-12(15)18(8-9(2)3)14(21)17(4)13(11)20/h9-10,16,19H,5-8,15H2,1-4H3.
What are the key properties of 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).