4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide

C28H36N4O5 — CID 122425104

IUPAC4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide
SMILESCC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCc3ccc4ccccc4c3)c(N)nc2=O)[C@@H](C)C1OC(C)C
InChIInChI=1S/C28H36N4O5/c1-16(2)35-15-23-24(36-17(3)4)18(5)27(37-23)32-14-22(25(29)31-28(32)34)26(33)30-13-19-10-11-20-8-6-7-9-21(20)12-19/h6-12,14,16-18,23-24,27H,13,15H2,1-5H3,(H,30,33)(H2,29,31,34)/t18-,23+,24?,27+/m0/s1
InChIKeyBDLBZGCUGCXQMF-ZTCKTWIESA-N
MW508.62 g/mol
LogP3.66
Rot. Bonds9

About 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide

4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide (PubChem CID 122425104) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide
PubChem CID122425104
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Name4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide
SMILESCC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCc3ccc4ccccc4c3)c(N)nc2=O)[C@@H](C)C1OC(C)C
InChIInChI=1S/C28H36N4O5/c1-16(2)35-15-23-24(36-17(3)4)18(5)27(37-23)32-14-22(25(29)31-28(32)34)26(33)30-13-19-10-11-20-8-6-7-9-21(20)12-19/h6-12,14,16-18,23-24,27H,13,15H2,1-5H3,(H,30,33)(H2,29,31,34)/t18-,23+,24?,27+/m0/s1
InChIKeyBDLBZGCUGCXQMF-ZTCKTWIESA-N
XLogP3.66
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide (CID 122425104) is 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide is CC(C)OC[C@H]1O[C@@H](n2cc(C(=O)NCc3ccc4ccccc4c3)c(N)nc2=O)[C@@H](C)C1OC(C)C.
What is the InChIKey of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide?
The InChIKey is BDLBZGCUGCXQMF-ZTCKTWIESA-N. The full InChI is InChI=1S/C28H36N4O5/c1-16(2)35-15-23-24(36-17(3)4)18(5)27(37-23)32-14-22(25(29)31-28(32)34)26(33)30-13-19-10-11-20-8-6-7-9-21(20)12-19/h6-12,14,16-18,23-24,27H,13,15H2,1-5H3,(H,30,33)(H2,29,31,34)/t18-,23+,24?,27+/m0/s1.
What are the key properties of 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide?
4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-N-(naphthalen-2-ylmethyl)-2-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 122425104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).