6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione

C18H31N5O3 — CID 18129515

IUPAC6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)CC(=O)N2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-4-6-9-23-16(19)15(17(25)20-18(23)26)21(5-2)12-14(24)22-10-7-13(3)8-11-22/h13H,4-12,19H2,1-3H3,(H,20,25,26)
InChIKeyWFWLLXCBZFKYDQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.00
Rot. Bonds7

About 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione (PubChem CID 18129515) has the molecular formula C18H31N5O3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
PubChem CID18129515
Molecular FormulaC18H31N5O3
Molecular Weight365.48 g/mol
Exact Mass365.24
IUPAC Name6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CC)CC(=O)N2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O3/c1-4-6-9-23-16(19)15(17(25)20-18(23)26)21(5-2)12-14(24)22-10-7-13(3)8-11-22/h13H,4-12,19H2,1-3H3,(H,20,25,26)
InChIKeyWFWLLXCBZFKYDQ-UHFFFAOYSA-N
XLogP1.00
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione (CID 18129515) is 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CC)CC(=O)N2CCC(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
The InChIKey is WFWLLXCBZFKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3/c1-4-6-9-23-16(19)15(17(25)20-18(23)26)21(5-2)12-14(24)22-10-7-13(3)8-11-22/h13H,4-12,19H2,1-3H3,(H,20,25,26).
What are the key properties of 6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione has a molecular weight of 365.48 g/mol, XLogP of 1.00, 7 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-[ethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 18129515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).