2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide

C11H19N5O3 — CID 60702032

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
SMILESCCCCn1c(N)c(NC(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N5O3/c1-3-4-5-16-8(12)7(10(18)15-11(16)19)14-6(2)9(13)17/h6,14H,3-5,12H2,1-2H3,(H2,13,17)(H,15,18,19)
InChIKeyHEENULFHXHLRIC-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.80
Rot. Bonds6

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide (PubChem CID 60702032) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
PubChem CID60702032
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide
SMILESCCCCn1c(N)c(NC(C)C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C11H19N5O3/c1-3-4-5-16-8(12)7(10(18)15-11(16)19)14-6(2)9(13)17/h6,14H,3-5,12H2,1-2H3,(H2,13,17)(H,15,18,19)
InChIKeyHEENULFHXHLRIC-UHFFFAOYSA-N
XLogP-0.80
TPSA136.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-butyl-5-(but-3-yn-2-ylamino)pyrimidine-2,4-dione
CID 114382909
6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
CID 65048686
5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]pentanamide
CID 106238995
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]-N-ethylacetamide
CID 60661495
methyl 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanoate
CID 60661545
6-amino-1-butyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrimidine-2,4-dione
CID 63966820
6-amino-1-ethyl-5-(heptan-2-ylamino)pyrimidine-2,4-dione
CID 60649196
6-amino-1-butyl-5-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-2,4-dione
CID 62947582
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-1-butyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 60918354
6-amino-5-(hexan-3-ylamino)-1-propylpyrimidine-2,4-dione
CID 62046800
6-amino-5-(2-butoxyethylamino)-1-butylpyrimidine-2,4-dione
CID 61169718

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide (CID 60702032) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide is CCCCn1c(N)c(NC(C)C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide?
The InChIKey is HEENULFHXHLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-3-4-5-16-8(12)7(10(18)15-11(16)19)14-6(2)9(13)17/h6,14H,3-5,12H2,1-2H3,(H2,13,17)(H,15,18,19).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide has a molecular weight of 269.30 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)amino]propanamide is sourced from PubChem (CID 60702032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).