N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide

C17H28N4O3 — CID 2682930

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide
SMILESCCCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N4O3/c1-4-5-9-20(16(23)12-7-6-8-12)13-14(18)21(10-11(2)3)17(24)19-15(13)22/h11-12H,4-10,18H2,1-3H3,(H,19,22,24)
InChIKeyMHRYXBZVHSPMGR-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.71
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide (PubChem CID 2682930) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide
PubChem CID2682930
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide
SMILESCCCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C17H28N4O3/c1-4-5-9-20(16(23)12-7-6-8-12)13-14(18)21(10-11(2)3)17(24)19-15(13)22/h11-12H,4-10,18H2,1-3H3,(H,19,22,24)
InChIKeyMHRYXBZVHSPMGR-UHFFFAOYSA-N
XLogP1.71
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide (CID 2682930) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide is CCCCN(C(=O)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide?
The InChIKey is MHRYXBZVHSPMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-5-9-20(16(23)12-7-6-8-12)13-14(18)21(10-11(2)3)17(24)19-15(13)22/h11-12H,4-10,18H2,1-3H3,(H,19,22,24).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclobutanecarboxamide is sourced from PubChem (CID 2682930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).