6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione

C12H20N4O2 — CID 2497579

IUPAC6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-2-6-16-10(13)9(11(17)14-12(16)18)15-7-4-3-5-8-15/h2-8,13H2,1H3,(H,14,17,18)
InChIKeyGKWAVAILGSGDJP-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.52
Rot. Bonds3

About 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione

6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione (PubChem CID 2497579) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione
PubChem CID2497579
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-2-6-16-10(13)9(11(17)14-12(16)18)15-7-4-3-5-8-15/h2-8,13H2,1H3,(H,14,17,18)
InChIKeyGKWAVAILGSGDJP-UHFFFAOYSA-N
XLogP0.52
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-5-(butylamino)-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedione
CID 3813450
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
CID 2363705
6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2384333
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 4141057
1-Decyl-5,6-diamino-pyrimidine-2,4-dione
CID 9971024
1-Octyl-5,6-diAm-pyrimidin-2,4-dione
CID 9992492
5,6-diamino-3-dodecyl-1H-pyrimidine-2,4-dione
CID 10086748
5,6-Diamino-1-dodecylpyrimidine-2,4-dione
CID 11722943

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione (CID 2497579) is 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione?
The InChIKey is GKWAVAILGSGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-6-16-10(13)9(11(17)14-12(16)18)15-7-4-3-5-8-15/h2-8,13H2,1H3,(H,14,17,18).
What are the key properties of 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione?
6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2497579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).