6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione

C18H31N5O3 — CID 17458117

IUPAC6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCC)CC(=O)N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-3-5-12-23-16(19)15(17(25)20-18(23)26)22(9-4-2)13-14(24)21-10-7-6-8-11-21/h3-13,19H2,1-2H3,(H,20,25,26)
InChIKeyHDRHORFTCOXLJT-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.15
Rot. Bonds8

About 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione (PubChem CID 17458117) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione
PubChem CID17458117
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCC)CC(=O)N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-3-5-12-23-16(19)15(17(25)20-18(23)26)22(9-4-2)13-14(24)21-10-7-6-8-11-21/h3-13,19H2,1-2H3,(H,20,25,26)
InChIKeyHDRHORFTCOXLJT-UHFFFAOYSA-N
XLogP1.15
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
CID 10018296
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-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-yl)-N-(2-methylpropyl)acetamide
CID 2406569
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
1,3-Dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
CID 657656

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione (CID 17458117) is 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CCC)CC(=O)N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione?
The InChIKey is HDRHORFTCOXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-3-5-12-23-16(19)15(17(25)20-18(23)26)22(9-4-2)13-14(24)21-10-7-6-8-11-21/h3-13,19H2,1-2H3,(H,20,25,26).
What are the key properties of 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione has a molecular weight of 365.48 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 17458117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).