N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide

C18H28N4O3 — CID 22402382

IUPACN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCn1c(N)c(NC(=O)C2CC3CCC2C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C18H28N4O3/c1-3-7-21-15(19)14(17(24)22(8-4-2)18(21)25)20-16(23)13-10-11-5-6-12(13)9-11/h11-13H,3-10,19H2,1-2H3,(H,20,23)
InChIKeyVAVMUPBJTMWDQV-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.79
Rot. Bonds6

About N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 22402382) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID22402382
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCn1c(N)c(NC(=O)C2CC3CCC2C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C18H28N4O3/c1-3-7-21-15(19)14(17(24)22(8-4-2)18(21)25)20-16(23)13-10-11-5-6-12(13)9-11/h11-13H,3-10,19H2,1-2H3,(H,20,23)
InChIKeyVAVMUPBJTMWDQV-UHFFFAOYSA-N
XLogP1.79
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 22402382) is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide is CCCn1c(N)c(NC(=O)C2CC3CCC2C3)c(=O)n(CCC)c1=O.
What is the InChIKey of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VAVMUPBJTMWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-7-21-15(19)14(17(24)22(8-4-2)18(21)25)20-16(23)13-10-11-5-6-12(13)9-11/h11-13H,3-10,19H2,1-2H3,(H,20,23).
What are the key properties of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.79, 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-dipropylpyrimidin-5-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 22402382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).