N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C21H31N7O3 — CID 8615527

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCN(c3ccccn3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H31N7O3/c1-3-5-10-28-19(22)18(20(30)24-21(28)31)27(4-2)17(29)15-25-11-13-26(14-12-25)16-8-6-7-9-23-16/h6-9H,3-5,10-15,22H2,1-2H3,(H,24,30,31)
InChIKeyIVFNTONUKDYWFT-UHFFFAOYSA-N
MW429.53 g/mol
LogP0.49
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 8615527) has the molecular formula C21H31N7O3 and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID8615527
Molecular FormulaC21H31N7O3
Molecular Weight429.53 g/mol
Exact Mass429.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN2CCN(c3ccccn3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H31N7O3/c1-3-5-10-28-19(22)18(20(30)24-21(28)31)27(4-2)17(29)15-25-11-13-26(14-12-25)16-8-6-7-9-23-16/h6-9H,3-5,10-15,22H2,1-2H3,(H,24,30,31)
InChIKeyIVFNTONUKDYWFT-UHFFFAOYSA-N
XLogP0.49
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 8615527) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CCCCn1c(N)c(N(CC)C(=O)CN2CCN(c3ccccn3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is IVFNTONUKDYWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O3/c1-3-5-10-28-19(22)18(20(30)24-21(28)31)27(4-2)17(29)15-25-11-13-26(14-12-25)16-8-6-7-9-23-16/h6-9H,3-5,10-15,22H2,1-2H3,(H,24,30,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 429.53 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8615527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).