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

C20H30N4O3 — CID 18689417

IUPACN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C20H30N4O3/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/h12-14H,3-11,21H2,1-2H3,(H,22,26)
InChIKeyFBCJZBZQGOZHEJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.18
Rot. Bonds6

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

N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 18689417) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID18689417
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCCCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CCC)c1=O
InChIInChI=1S/C20H30N4O3/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/h12-14H,3-11,21H2,1-2H3,(H,22,26)
InChIKeyFBCJZBZQGOZHEJ-UHFFFAOYSA-N
XLogP2.18
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 18689417) is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-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-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is CCCn1c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c(=O)n(CCC)c1=O.
What is the InChIKey of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is FBCJZBZQGOZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/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/h12-14H,3-11,21H2,1-2H3,(H,22,26).
What are the key properties of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.18, 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)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 18689417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).