N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C18H26N4O3 — CID 12995134

IUPACN-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O
InChIInChI=1S/C18H26N4O3/c1-2-3-4-22-15(23)13(14(19)21-17(22)25)20-16(24)18-8-10-5-11(9-18)7-12(18)6-10/h10-12H,2-9,19H2,1H3,(H,20,24)(H,21,25)
InChIKeyYFYICRJWNHCYGK-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.68
Rot. Bonds5

About N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 12995134) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID12995134
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O
InChIInChI=1S/C18H26N4O3/c1-2-3-4-22-15(23)13(14(19)21-17(22)25)20-16(24)18-8-10-5-11(9-18)7-12(18)6-10/h10-12H,2-9,19H2,1H3,(H,20,24)(H,21,25)
InChIKeyYFYICRJWNHCYGK-UHFFFAOYSA-N
XLogP1.68
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 12995134) is N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is CCCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O.
What is the InChIKey of N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is YFYICRJWNHCYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-3-4-22-15(23)13(14(19)21-17(22)25)20-16(24)18-8-10-5-11(9-18)7-12(18)6-10/h10-12H,2-9,19H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 12995134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).