N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide

C27H33N3O6 — CID 58219338

IUPACN-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide
SMILESCC(C)OCC1OC(n2cc(C(=O)NCc3cccc4ccccc34)c(=O)[nH]c2=O)CC1OC(C)C
InChIInChI=1S/C27H33N3O6/c1-16(2)34-15-23-22(35-17(3)4)12-24(36-23)30-14-21(26(32)29-27(30)33)25(31)28-13-19-10-7-9-18-8-5-6-11-20(18)19/h5-11,14,16-17,22-24H,12-13,15H2,1-4H3,(H,28,31)(H,29,32,33)
InChIKeyULNSGNBWPDMFJC-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.13
Rot. Bonds9

About N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide

N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide (PubChem CID 58219338) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide
PubChem CID58219338
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC NameN-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide
SMILESCC(C)OCC1OC(n2cc(C(=O)NCc3cccc4ccccc34)c(=O)[nH]c2=O)CC1OC(C)C
InChIInChI=1S/C27H33N3O6/c1-16(2)34-15-23-22(35-17(3)4)12-24(36-23)30-14-21(26(32)29-27(30)33)25(31)28-13-19-10-7-9-18-8-5-6-11-20(18)19/h5-11,14,16-17,22-24H,12-13,15H2,1-4H3,(H,28,31)(H,29,32,33)
InChIKeyULNSGNBWPDMFJC-UHFFFAOYSA-N
XLogP3.13
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide (CID 58219338) is N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide is CC(C)OCC1OC(n2cc(C(=O)NCc3cccc4ccccc34)c(=O)[nH]c2=O)CC1OC(C)C.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is ULNSGNBWPDMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6/c1-16(2)34-15-23-22(35-17(3)4)12-24(36-23)30-14-21(26(32)29-27(30)33)25(31)28-13-19-10-7-9-18-8-5-6-11-20(18)19/h5-11,14,16-17,22-24H,12-13,15H2,1-4H3,(H,28,31)(H,29,32,33).
What are the key properties of N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide?
N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2,4-dioxo-1-[4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 58219338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).