6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione

C14H22N4O3 — CID 4851012

IUPAC6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-2-6-18-12(15)11(13(20)16-14(18)21)10(19)9-17-7-4-3-5-8-17/h2-9,15H2,1H3,(H,16,20,21)
InChIKeyBRKAWFBHHURTSR-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.20
Rot. Bonds5

About 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione

6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione (PubChem CID 4851012) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
PubChem CID4851012
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O3/c1-2-6-18-12(15)11(13(20)16-14(18)21)10(19)9-17-7-4-3-5-8-17/h2-9,15H2,1H3,(H,16,20,21)
InChIKeyBRKAWFBHHURTSR-UHFFFAOYSA-N
XLogP0.20
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione (CID 4851012) is 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is BRKAWFBHHURTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-2-6-18-12(15)11(13(20)16-14(18)21)10(19)9-17-7-4-3-5-8-17/h2-9,15H2,1H3,(H,16,20,21).
What are the key properties of 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 294.36 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 4851012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).