N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C20H28N4O3 — CID 12995137

IUPACN-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c2n(c1=O)CCCN2
InChIInChI=1S/C20H28N4O3/c1-2-5-24-17(25)15(16-21-4-3-6-23(16)19(24)27)22-18(26)20-10-12-7-13(11-20)9-14(20)8-12/h12-14,21H,2-11H2,1H3,(H,22,26)
InChIKeyIEBRCKXPMMOGAV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.00
Rot. Bonds4

About N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 12995137) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID12995137
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c2n(c1=O)CCCN2
InChIInChI=1S/C20H28N4O3/c1-2-5-24-17(25)15(16-21-4-3-6-23(16)19(24)27)22-18(26)20-10-12-7-13(11-20)9-14(20)8-12/h12-14,21H,2-11H2,1H3,(H,22,26)
InChIKeyIEBRCKXPMMOGAV-UHFFFAOYSA-N
XLogP2.00
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 12995137) is N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is CCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c2n(c1=O)CCCN2.
What is the InChIKey of N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is IEBRCKXPMMOGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-5-24-17(25)15(16-21-4-3-6-23(16)19(24)27)22-18(26)20-10-12-7-13(11-20)9-14(20)8-12/h12-14,21H,2-11H2,1H3,(H,22,26).
What are the key properties of N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dioxo-7-propyl-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 12995137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).