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

C17H24N4O3 — CID 12995133

IUPACN-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O
InChIInChI=1S/C17H24N4O3/c1-2-3-21-14(22)12(13(18)20-16(21)24)19-15(23)17-7-9-4-10(8-17)6-11(17)5-9/h9-11H,2-8,18H2,1H3,(H,19,23)(H,20,24)
InChIKeyWSDPJSMZJGBRSV-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.29
Rot. Bonds4

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

N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 12995133) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID12995133
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O
InChIInChI=1S/C17H24N4O3/c1-2-3-21-14(22)12(13(18)20-16(21)24)19-15(23)17-7-9-4-10(8-17)6-11(17)5-9/h9-11H,2-8,18H2,1H3,(H,19,23)(H,20,24)
InChIKeyWSDPJSMZJGBRSV-UHFFFAOYSA-N
XLogP1.29
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 12995133) is N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is CCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is WSDPJSMZJGBRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-2-3-21-14(22)12(13(18)20-16(21)24)19-15(23)17-7-9-4-10(8-17)6-11(17)5-9/h9-11H,2-8,18H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 12995133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).