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

C20H26N4O3 — CID 19097300

IUPACN-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESC=CCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CC=C)c1=O
InChIInChI=1S/C20H26N4O3/c1-3-5-23-16(21)15(17(25)24(6-4-2)19(23)27)22-18(26)20-10-12-7-13(11-20)9-14(20)8-12/h3-4,12-14H,1-2,5-11,21H2,(H,22,26)
InChIKeyFSPDBLAOOICCDB-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.73
Rot. Bonds6

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

N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 19097300) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID19097300
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESC=CCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CC=C)c1=O
InChIInChI=1S/C20H26N4O3/c1-3-5-23-16(21)15(17(25)24(6-4-2)19(23)27)22-18(26)20-10-12-7-13(11-20)9-14(20)8-12/h3-4,12-14H,1-2,5-11,21H2,(H,22,26)
InChIKeyFSPDBLAOOICCDB-UHFFFAOYSA-N
XLogP1.73
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 19097300) is N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is C=CCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CC=C)c1=O.
What is the InChIKey of N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is FSPDBLAOOICCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-5-23-16(21)15(17(25)24(6-4-2)19(23)27)22-18(26)20-10-12-7-13(11-20)9-14(20)8-12/h3-4,12-14H,1-2,5-11,21H2,(H,22,26).
What are the key properties of N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2,6-dioxo-1,3-bis(prop-2-enyl)pyrimidin-5-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 19097300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).