6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione

C12H22N4O2 — CID 115613202

IUPAC6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
SMILESCCC(CC)CNc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-4-8(5-2)7-14-9-10(13)16(6-3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyINVMANLXMQQVSN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.99
Rot. Bonds6

About 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione (PubChem CID 115613202) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
PubChem CID115613202
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione
SMILESCCC(CC)CNc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-4-8(5-2)7-14-9-10(13)16(6-3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyINVMANLXMQQVSN-UHFFFAOYSA-N
XLogP0.99
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-(2-ethylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115613195
3-[(6-amino-1-ethyl-2,4-dioxopyrimidin-5-yl)amino]-2-hydroxypropanamide
CID 106170945
6-amino-1-ethyl-5-[(2-hydroxy-2-phenylethyl)amino]pyrimidine-2,4-dione
CID 60649098
6-amino-1-ethyl-5-[(1-methylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 113248927
6-amino-1-ethyl-5-(hexan-3-ylamino)pyrimidine-2,4-dione
CID 55030966
6-amino-1-ethyl-5-(5-hydroxypentylamino)pyrimidine-2,4-dione
CID 107302596
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-1-ethyl-5-[(1-propylcyclopropyl)methylamino]pyrimidine-2,4-dione
CID 103761646
6-amino-1-ethyl-5-[(4-fluorophenyl)methylamino]pyrimidine-2,4-dione
CID 60649008
6-amino-5-[(2,2-dimethylcyclopropyl)methylamino]-1-ethylpyrimidine-2,4-dione
CID 103659754
6-amino-1-ethyl-5-[(2-ethyl-2-methylsulfanylbutyl)amino]pyrimidine-2,4-dione
CID 103704594
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-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione (CID 115613202) is 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione is CCC(CC)CNc1c(N)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione?
The InChIKey is INVMANLXMQQVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-8(5-2)7-14-9-10(13)16(6-3)12(18)15-11(9)17/h8,14H,4-7,13H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(2-ethylbutylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 115613202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).