6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione

C14H26N4O2 — CID 104828680

IUPAC6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC(C)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2/c1-8(2)7-18-11(15)10(12(19)17-13(18)20)16-9(3)14(4,5)6/h8-9,16H,7,15H2,1-6H3,(H,17,19,20)
InChIKeyNSJDFWUNUZPOCJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.62
Rot. Bonds4

About 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 104828680) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID104828680
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC(C)C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2/c1-8(2)7-18-11(15)10(12(19)17-13(18)20)16-9(3)14(4,5)6/h8-9,16H,7,15H2,1-6H3,(H,17,19,20)
InChIKeyNSJDFWUNUZPOCJ-UHFFFAOYSA-N
XLogP1.62
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933303
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106215099
6-amino-5-[(5-hydroxy-4-methylpentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106158491
6-amino-1-(2-methylpropyl)-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyrimidine-2,4-dione
CID 106382190
6-amino-5-[(3-hydroxy-4-methoxybutyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106245801
6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368693
6-amino-1-(2-methylpropyl)-5-(pyridin-3-ylmethylamino)pyrimidine-2,4-dione
CID 60648991
6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2432599
6-amino-5-[(3-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 114547851
6-amino-5-(but-3-yn-2-ylamino)-1-ethylpyrimidine-2,4-dione
CID 114383008

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 104828680) is 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC(C)C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is NSJDFWUNUZPOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-8(2)7-18-11(15)10(12(19)17-13(18)20)16-9(3)14(4,5)6/h8-9,16H,7,15H2,1-6H3,(H,17,19,20).
What are the key properties of 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 104828680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).