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

C21H30N4O3 — CID 12995138

IUPACN-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c2n(c1=O)CCCN2
InChIInChI=1S/C21H30N4O3/c1-2-3-6-25-18(26)16(17-22-5-4-7-24(17)20(25)28)23-19(27)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,22H,2-12H2,1H3,(H,23,27)
InChIKeyHOSIGFFVBZHXRU-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.39
Rot. Bonds5

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

N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 12995138) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID12995138
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c2n(c1=O)CCCN2
InChIInChI=1S/C21H30N4O3/c1-2-3-6-25-18(26)16(17-22-5-4-7-24(17)20(25)28)23-19(27)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,22H,2-12H2,1H3,(H,23,27)
InChIKeyHOSIGFFVBZHXRU-UHFFFAOYSA-N
XLogP2.39
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(7-butyl-6,8-dioxo-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-(7-butyl-6,8-dioxo-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-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 12995138) is N-(7-butyl-6,8-dioxo-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-(7-butyl-6,8-dioxo-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-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is CCCCn1c(=O)c(NC(=O)C23CC4CC(CC2C4)C3)c2n(c1=O)CCCN2.
What is the InChIKey of N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is HOSIGFFVBZHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-2-3-6-25-18(26)16(17-22-5-4-7-24(17)20(25)28)23-19(27)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,22H,2-12H2,1H3,(H,23,27).
What are the key properties of N-(7-butyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(7-butyl-6,8-dioxo-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 386.50 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-butyl-6,8-dioxo-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 12995138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).