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

C12H22N4O2 — CID 2384333

IUPAC6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-4-5-6-16-10(13)9(14-7-8(2)3)11(17)15-12(16)18/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyNEVPOYBLIBCYCR-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.99
Rot. Bonds6

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

6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione (PubChem CID 2384333) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione
PubChem CID2384333
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H22N4O2/c1-4-5-6-16-10(13)9(14-7-8(2)3)11(17)15-12(16)18/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)
InChIKeyNEVPOYBLIBCYCR-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione (CID 2384333) is 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione?
The InChIKey is NEVPOYBLIBCYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-6-16-10(13)9(14-7-8(2)3)11(17)15-12(16)18/h8,14H,4-7,13H2,1-3H3,(H,15,17,18).
What are the key properties of 6-amino-1-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(2-methylpropylamino)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-butyl-5-(2-methylpropylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2384333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).