6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione

C13H24N4O2 — CID 2341172

IUPAC6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-4-5-8-17-11(14)10(12(18)16-13(17)19)15-7-6-9(2)3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)
InChIKeyMYVXAFZUGGZIAF-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.38
Rot. Bonds7

About 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione (PubChem CID 2341172) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione
PubChem CID2341172
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O2/c1-4-5-8-17-11(14)10(12(18)16-13(17)19)15-7-6-9(2)3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19)
InChIKeyMYVXAFZUGGZIAF-UHFFFAOYSA-N
XLogP1.38
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetylamino-6-amino-3-methyluracil
CID 88299
6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylcyclobutanecarboxamide
CID 2644561
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylcyclobutanecarboxamide
CID 7759348
6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
CID 2363705
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
5,6-Diamino-1,3-dipropyl-2,4(1H,3H)-pyrimidinedione
CID 5098605
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8922754

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione (CID 2341172) is 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione?
The InChIKey is MYVXAFZUGGZIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-8-17-11(14)10(12(18)16-13(17)19)15-7-6-9(2)3/h9,15H,4-8,14H2,1-3H3,(H,16,18,19).
What are the key properties of 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione has a molecular weight of 268.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(3-methylbutylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2341172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).