6-amino-1,3-dipropylpyrimidine-2,4-dione

C10H17N3O2 — CID 855055

IUPAC6-amino-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)cc(=O)n(CCC)c1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-12-8(11)7-9(14)13(6-4-2)10(12)15/h7H,3-6,11H2,1-2H3
InChIKeyWWYIZMBRAYKRFU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.41
Rot. Bonds4

About 6-amino-1,3-dipropylpyrimidine-2,4-dione

6-amino-1,3-dipropylpyrimidine-2,4-dione (PubChem CID 855055) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-amino-1,3-dipropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dipropylpyrimidine-2,4-dione
PubChem CID855055
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name6-amino-1,3-dipropylpyrimidine-2,4-dione
SMILESCCCn1c(N)cc(=O)n(CCC)c1=O
InChIInChI=1S/C10H17N3O2/c1-3-5-12-8(11)7-9(14)13(6-4-2)10(12)15/h7H,3-6,11H2,1-2H3
InChIKeyWWYIZMBRAYKRFU-UHFFFAOYSA-N
XLogP0.41
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dipropylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dipropylpyrimidine-2,4-dione (CID 855055) is 6-amino-1,3-dipropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dipropylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dipropylpyrimidine-2,4-dione is CCCn1c(N)cc(=O)n(CCC)c1=O.
What is the InChIKey of 6-amino-1,3-dipropylpyrimidine-2,4-dione?
The InChIKey is WWYIZMBRAYKRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-12-8(11)7-9(14)13(6-4-2)10(12)15/h7H,3-6,11H2,1-2H3.
What are the key properties of 6-amino-1,3-dipropylpyrimidine-2,4-dione?
6-amino-1,3-dipropylpyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dipropylpyrimidine-2,4-dione is sourced from PubChem (CID 855055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).