6-amino-1-butylpyrimidine-2,4-dione

C8H13N3O2 — CID 2428996

IUPAC6-amino-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyMKBLKULBTBPLRX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.08
Rot. Bonds3

About 6-amino-1-butylpyrimidine-2,4-dione

6-amino-1-butylpyrimidine-2,4-dione (PubChem CID 2428996) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-amino-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butylpyrimidine-2,4-dione
PubChem CID2428996
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-amino-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyMKBLKULBTBPLRX-UHFFFAOYSA-N
XLogP-0.08
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butylpyrimidine-2,4-dione (CID 2428996) is 6-amino-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butylpyrimidine-2,4-dione is CCCCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butylpyrimidine-2,4-dione?
The InChIKey is MKBLKULBTBPLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13).
What are the key properties of 6-amino-1-butylpyrimidine-2,4-dione?
6-amino-1-butylpyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 2428996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).