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

C18H30N4O3 — CID 4825573

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-4-5-10-21(17(24)13-8-6-7-9-13)14-15(19)22(11-12(2)3)18(25)20-16(14)23/h12-13H,4-11,19H2,1-3H3,(H,20,23,25)
InChIKeyVMDDUDOHEZNTKK-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.10
Rot. Bonds7

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide (PubChem CID 4825573) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide
PubChem CID4825573
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide
SMILESCCCCN(C(=O)C1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H30N4O3/c1-4-5-10-21(17(24)13-8-6-7-9-13)14-15(19)22(11-12(2)3)18(25)20-16(14)23/h12-13H,4-11,19H2,1-3H3,(H,20,23,25)
InChIKeyVMDDUDOHEZNTKK-UHFFFAOYSA-N
XLogP2.10
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.10
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-butylcyclopentanecarboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide (CID 4825573) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide is CCCCN(C(=O)C1CCCC1)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-butylcyclopentanecarboxamide?
The InChIKey is VMDDUDOHEZNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-5-10-21(17(24)13-8-6-7-9-13)14-15(19)22(11-12(2)3)18(25)20-16(14)23/h12-13H,4-11,19H2,1-3H3,(H,20,23,25).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butylcyclopentanecarboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.10, 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-butylcyclopentanecarboxamide is sourced from PubChem (CID 4825573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).